2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid

C16H14BrNO3 — CID 81356390

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
SMILESC[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO3/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m1/s1
InChIKeyOGRLISYITRDQQM-SNVBAGLBSA-N
MW348.20 g/mol
LogP3.64
Rot. Bonds4

About 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid

2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid (PubChem CID 81356390) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
PubChem CID81356390
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
SMILESC[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO3/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m1/s1
InChIKeyOGRLISYITRDQQM-SNVBAGLBSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid (CID 81356390) is 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid is C[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid?
The InChIKey is OGRLISYITRDQQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-10(11-6-8-12(17)9-7-11)18-15(19)13-4-2-3-5-14(13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid?
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid has a molecular weight of 348.20 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid is sourced from PubChem (CID 81356390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).