2-[(2-bromobenzoyl)amino]-4-chlorobenzoate

C14H8BrClNO3- — CID 6981039

IUPAC2-[(2-bromobenzoyl)amino]-4-chlorobenzoate
SMILESO=C(Nc1cc(Cl)ccc1C(=O)[O-])c1ccccc1Br
InChIInChI=1S/C14H9BrClNO3/c15-11-4-2-1-3-9(11)13(18)17-12-7-8(16)5-6-10(12)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1
InChIKeyUFBUIUXMFQOGMJ-UHFFFAOYSA-M
MW353.58 g/mol
LogP2.72
Rot. Bonds3

About 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate

2-[(2-bromobenzoyl)amino]-4-chlorobenzoate (PubChem CID 6981039) has the molecular formula C14H8BrClNO3- and a molecular weight of 353.58 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-4-chlorobenzoate
PubChem CID6981039
Molecular FormulaC14H8BrClNO3-
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name2-[(2-bromobenzoyl)amino]-4-chlorobenzoate
SMILESO=C(Nc1cc(Cl)ccc1C(=O)[O-])c1ccccc1Br
InChIInChI=1S/C14H9BrClNO3/c15-11-4-2-1-3-9(11)13(18)17-12-7-8(16)5-6-10(12)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1
InChIKeyUFBUIUXMFQOGMJ-UHFFFAOYSA-M
XLogP2.72
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-chloro-N-(2-chlorophenyl)benzamide
CID 103763135
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
CID 107033062
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
N'-(2-bromobenzoyl)-2,5-dichlorobenzohydrazide
CID 7536155
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2-bromo-4-chlorophenyl)-2,3-dichlorobenzamide
CID 81028936
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate (CID 6981039) is 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate is O=C(Nc1cc(Cl)ccc1C(=O)[O-])c1ccccc1Br.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate?
The InChIKey is UFBUIUXMFQOGMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9BrClNO3/c15-11-4-2-1-3-9(11)13(18)17-12-7-8(16)5-6-10(12)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate?
2-[(2-bromobenzoyl)amino]-4-chlorobenzoate has a molecular weight of 353.58 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 6981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).