3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid

C15H13ClN2O3 — CID 63117383

IUPAC3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-11-4-2-1-3-9(11)8-14(19)18-13-6-5-10(15(20)21)7-12(13)17/h1-7H,8,17H2,(H,18,19)(H,20,21)
InChIKeySHCKARRDHGPELT-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.80
Rot. Bonds4

About 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid

3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid (PubChem CID 63117383) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
PubChem CID63117383
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-11-4-2-1-3-9(11)8-14(19)18-13-6-5-10(15(20)21)7-12(13)17/h1-7H,8,17H2,(H,18,19)(H,20,21)
InChIKeySHCKARRDHGPELT-UHFFFAOYSA-N
XLogP2.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80744121
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
3-chloro-4-[[2-(2-hydroxyphenyl)acetyl]amino]benzoic acid
CID 80722030
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
3-amino-4-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63117130
N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
CID 107789853
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714
3-fluoro-4-[(2-phenylacetyl)amino]benzoic acid
CID 63190262

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid (CID 63117383) is 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid is Nc1cc(C(=O)O)ccc1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid?
The InChIKey is SHCKARRDHGPELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-4-2-1-3-9(11)8-14(19)18-13-6-5-10(15(20)21)7-12(13)17/h1-7H,8,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid?
3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid has a molecular weight of 304.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63117383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).