3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid

C15H11BrClNO3 — CID 63112855

IUPAC3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(Cl)c1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H11BrClNO3/c16-12-6-2-5-11(15(20)21)14(12)18-13(19)8-9-3-1-4-10(17)7-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyALRODMNMHBTTSI-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.98
Rot. Bonds4

About 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid

3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid (PubChem CID 63112855) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
PubChem CID63112855
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1cccc(Cl)c1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H11BrClNO3/c16-12-6-2-5-11(15(20)21)14(12)18-13(19)8-9-3-1-4-10(17)7-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyALRODMNMHBTTSI-UHFFFAOYSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112944
3-bromo-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 55176730
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
CID 63112414
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
3-bromo-2-[(4-chlorophenyl)carbamoylamino]benzoic acid
CID 63112769
N-(2-bromo-4-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 62503410
N-(2-bromo-5-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 103753346
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid (CID 63112855) is 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid is O=C(Cc1cccc(Cl)c1)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid?
The InChIKey is ALRODMNMHBTTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-12-6-2-5-11(15(20)21)14(12)18-13(19)8-9-3-1-4-10(17)7-9/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid?
3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid has a molecular weight of 368.61 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63112855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).