2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid

C78H49Br6Cl4F18NO15 — CID 157465328

IUPAC2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid
SMILESCON(C)C(=O)c1cc(Br)cc(C(F)(F)F)c1.COc1ccc(Cl)cc1Br.COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=C(c1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C16H9BrClF3O4.C15H9BrClF3O2.C14H7BrClF3O2.C10H9BrF3NO2.C8H4BrF3O2.C8H5F3O2.C7H6BrClO/c17-10-4-8(3-9(5-10)16(19,20)21)15(24)12-6-11(18)1-2-13(12)25-7-14(22)23;1-22-13-3-2-11(17)7-12(13)14(21)8-4-9(15(18,19)20)6-10(16)5-8;15-9-4-7(3-8(5-9)14(17,18)19)13(21)11-6-10(16)1-2-12(11)20;1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6;9-6-2-4(7(13)14)1-5(3-6)8(10,11)12;9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-10-7-3-2-5(9)4-6(7)8/h1-6H,7H2,(H,22,23);2-7H,1H3;1-6,20H;3-5H,1-2H3;1-3H,(H,13,14);1-4H,(H,12,13);2-4H,1H3
InChIKeyBUKDLXCHBMHNBG-UHFFFAOYSA-N
MW2203.44 g/mol
LogP27.02
Rot. Bonds15

About 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid

2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid (PubChem CID 157465328) has the molecular formula C78H49Br6Cl4F18NO15 and a molecular weight of 2203.44 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid
PubChem CID157465328
Molecular FormulaC78H49Br6Cl4F18NO15
Molecular Weight2203.44 g/mol
Exact Mass2194.67
IUPAC Name2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid
SMILESCON(C)C(=O)c1cc(Br)cc(C(F)(F)F)c1.COc1ccc(Cl)cc1Br.COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=C(c1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C16H9BrClF3O4.C15H9BrClF3O2.C14H7BrClF3O2.C10H9BrF3NO2.C8H4BrF3O2.C8H5F3O2.C7H6BrClO/c17-10-4-8(3-9(5-10)16(19,20)21)15(24)12-6-11(18)1-2-13(12)25-7-14(22)23;1-22-13-3-2-11(17)7-12(13)14(21)8-4-9(15(18,19)20)6-10(16)5-8;15-9-4-7(3-8(5-9)14(17,18)19)13(21)11-6-10(16)1-2-12(11)20;1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6;9-6-2-4(7(13)14)1-5(3-6)8(10,11)12;9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-10-7-3-2-5(9)4-6(7)8/h1-6H,7H2,(H,22,23);2-7H,1H3;1-6,20H;3-5H,1-2H3;1-3H,(H,13,14);1-4H,(H,12,13);2-4H,1H3
InChIKeyBUKDLXCHBMHNBG-UHFFFAOYSA-N
XLogP27.02
TPSA240.57 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002203.44
LogP ≤ 527.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid with MolForge

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Related Compounds

2-[4-chloro-2-[3-methyl-5-(trifluoromethyl)benzoyl]phenoxy]acetic acid
CID 143206756
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
2-[4-chloro-2-(3-fluoro-5-methoxybenzoyl)phenoxy]acetic acid
CID 58618193
2-[2-(2-bromobenzoyl)-4-chlorophenoxy]acetic acid
CID 11653576
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
CID 105094111
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]acetic acid;ethyl 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]acetate
CID 161411861
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
3-bromo-4-chlorobenzoic acid;3-bromo-4-chloro-N-methoxy-N-methylbenzamide;4-chloro-N-methoxy-3-(2-methoxyphenyl)-N-methylbenzamide
CID 158072649
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid (CID 157465328) is 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid is CON(C)C(=O)c1cc(Br)cc(C(F)(F)F)c1.COc1ccc(Cl)cc1Br.COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)COc1ccc(Cl)cc1C(=O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)c1cc(Br)cc(C(F)(F)F)c1.O=C(O)c1cccc(C(F)(F)F)c1.O=C(c1cc(Br)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid?
The InChIKey is BUKDLXCHBMHNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClF3O4.C15H9BrClF3O2.C14H7BrClF3O2.C10H9BrF3NO2.C8H4BrF3O2.C8H5F3O2.C7H6BrClO/c17-10-4-8(3-9(5-10)16(19,20)21)15(24)12-6-11(18)1-2-13(12)25-7-14(22)23;1-22-13-3-2-11(17)7-12(13)14(21)8-4-9(15(18,19)20)6-10(16)5-8;15-9-4-7(3-8(5-9)14(17,18)19)13(21)11-6-10(16)1-2-12(11)20;1-15(17-2)9(16)6-3-7(10(12,13)14)5-8(11)4-6;9-6-2-4(7(13)14)1-5(3-6)8(10,11)12;9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-10-7-3-2-5(9)4-6(7)8/h1-6H,7H2,(H,22,23);2-7H,1H3;1-6,20H;3-5H,1-2H3;1-3H,(H,13,14);1-4H,(H,12,13);2-4H,1H3.
What are the key properties of 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid?
2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid has a molecular weight of 2203.44 g/mol, XLogP of 27.02, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-methoxybenzene;3-bromo-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide;3-bromo-5-(trifluoromethyl)benzoic acid;2-[2-[3-bromo-5-(trifluoromethyl)benzoyl]-4-chlorophenoxy]acetic acid;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone;[3-bromo-5-(trifluoromethyl)phenyl]-(5-chloro-2-methoxyphenyl)methanone;3-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 157465328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).