3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide

C35H24Br4F14N4O4 — CID 157470708

IUPAC3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide
SMILESCOc1c(N)cccc1C(=O)N(C)c1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br.COc1c(N)cccc1C(=O)Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br
InChIInChI=1S/C18H13Br2F7N2O2.C17H11Br2F7N2O2/c1-29(15(30)9-4-3-5-12(28)14(9)31-2)13-10(19)6-8(7-11(13)20)16(21,17(22,23)24)18(25,26)27;1-30-13-8(3-2-4-11(13)27)14(29)28-12-9(18)5-7(6-10(12)19)15(20,16(21,22)23)17(24,25)26/h3-7H,28H2,1-2H3;2-6H,27H2,1H3,(H,28,29)
InChIKeyBUZQQQOIKSXKMR-UHFFFAOYSA-N
MW1150.19 g/mol
LogP12.71
Rot. Bonds8

About 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide

3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide (PubChem CID 157470708) has the molecular formula C35H24Br4F14N4O4 and a molecular weight of 1150.19 g/mol. Its IUPAC name is 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide
PubChem CID157470708
Molecular FormulaC35H24Br4F14N4O4
Molecular Weight1150.19 g/mol
Exact Mass1145.83
IUPAC Name3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide
SMILESCOc1c(N)cccc1C(=O)N(C)c1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br.COc1c(N)cccc1C(=O)Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br
InChIInChI=1S/C18H13Br2F7N2O2.C17H11Br2F7N2O2/c1-29(15(30)9-4-3-5-12(28)14(9)31-2)13-10(19)6-8(7-11(13)20)16(21,17(22,23)24)18(25,26)27;1-30-13-8(3-2-4-11(13)27)14(29)28-12-9(18)5-7(6-10(12)19)15(20,16(21,22)23)17(24,25)26/h3-7H,28H2,1-2H3;2-6H,27H2,1H3,(H,28,29)
InChIKeyBUZQQQOIKSXKMR-UHFFFAOYSA-N
XLogP12.71
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.19
LogP ≤ 512.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide with MolForge

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Related Compounds

N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-3-(methylamino)benzamide
CID 89492756
N-[2-bromo-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-3-[(4-cyanobenzoyl)-methylamino]-2-methoxybenzamide
CID 118448945
N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethoxy)phenyl]-2-fluoro-3-[(4-fluorobenzoyl)-methylamino]benzamide
CID 138497314
N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluoro-3-[(4-fluorobenzoyl)-methylamino]benzamide
CID 87288995
N-[2-bromo-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluoro-3-[(4-fluorobenzoyl)-methylamino]benzamide
CID 155095632
2-chloro-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-3-nitrobenzamide
CID 87289162
N-[3-[[2-bromo-4-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)-6-(difluoromethoxy)phenyl]carbamoyl]-2-methoxyphenyl]-N-ethylpyridin-1-ium-4-carboxamide
CID 140761663
ditert-butyl 2-[[N-(3-aminobenzoyl)-3-[[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]carbamoyl]-2-fluoroanilino]methyl]propanedioate
CID 88944621
3-[benzoyl(methyl)amino]-N-[2,6-dibromo-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]benzamide
CID 87289011
3-amino-N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide;N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluoro-3-(propylamino)benzamide;methanol
CID 160770244
3-amino-N-[2-bromo-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-N-methylbenzamide
CID 145151900
3-amino-4-cyano-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]benzamide
CID 87495517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide (CID 157470708) is 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide is COc1c(N)cccc1C(=O)N(C)c1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br.COc1c(N)cccc1C(=O)Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Br.
What is the InChIKey of 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide?
The InChIKey is BUZQQQOIKSXKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2F7N2O2.C17H11Br2F7N2O2/c1-29(15(30)9-4-3-5-12(28)14(9)31-2)13-10(19)6-8(7-11(13)20)16(21,17(22,23)24)18(25,26)27;1-30-13-8(3-2-4-11(13)27)14(29)28-12-9(18)5-7(6-10(12)19)15(20,16(21,22)23)17(24,25)26/h3-7H,28H2,1-2H3;2-6H,27H2,1H3,(H,28,29).
What are the key properties of 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide?
3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide has a molecular weight of 1150.19 g/mol, XLogP of 12.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxybenzamide;3-amino-N-[2,6-dibromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 157470708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).