methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate

C15H11BrClNO3 — CID 26239580

IUPACmethyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H11BrClNO3/c1-21-15(20)10-4-2-9(3-5-10)14(19)18-13-7-6-11(16)8-12(13)17/h2-8H,1H3,(H,18,19)
InChIKeyGDOBMKSZQYJSCC-UHFFFAOYSA-N
MW368.61 g/mol
LogP4.14
Rot. Bonds3

About methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate

methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate (PubChem CID 26239580) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
PubChem CID26239580
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Namemethyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C15H11BrClNO3/c1-21-15(20)10-4-2-9(3-5-10)14(19)18-13-7-6-11(16)8-12(13)17/h2-8H,1H3,(H,18,19)
InChIKeyGDOBMKSZQYJSCC-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl] propanoate
CID 2993801
N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-3-carboxamide
CID 134016007
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
methyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoyl]benzoate
CID 99793528
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
N-(4-bromo-2-chlorophenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24586847
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate (CID 26239580) is methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate?
The InChIKey is GDOBMKSZQYJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c1-21-15(20)10-4-2-9(3-5-10)14(19)18-13-7-6-11(16)8-12(13)17/h2-8H,1H3,(H,18,19).
What are the key properties of methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate?
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate has a molecular weight of 368.61 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate is sourced from PubChem (CID 26239580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).