2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid

C16H14ClNO3 — CID 28765730

IUPAC2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO3/c17-13-7-4-8-14(10-13)18(11-16(20)21)15(19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,20,21)
InChIKeySWPXACOUDGHCKB-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.00
Rot. Bonds5

About 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid

2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid (PubChem CID 28765730) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
PubChem CID28765730
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)Cc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO3/c17-13-7-4-8-14(10-13)18(11-16(20)21)15(19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,20,21)
InChIKeySWPXACOUDGHCKB-UHFFFAOYSA-N
XLogP3.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic 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-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)acetic acid
CID 60825769
2-(3-chloro-N-[2-(cyclohexen-1-yl)acetyl]anilino)acetic acid
CID 63565168
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
2-(3-chloro-N-(6-chloropyridine-2-carbonyl)anilino)acetic acid
CID 62239396
2-[N-(2-aminoethylcarbamoyl)-3-chloroanilino]acetic acid
CID 61403139
2-[3-chloro-N-(3,4,4-trimethylpentanoyl)anilino]acetic acid
CID 63832859
2-[3-chloro-N-[4-(methylamino)butanoyl]anilino]acetic acid
CID 61159946
2-(3-chloro-N-[2-(cyclopropylamino)acetyl]anilino)acetic acid
CID 61159944
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(3-chloro-N-(6-methylpyridine-2-carbonyl)anilino)acetic acid
CID 60826054
2-[3-chloro-N-(prop-2-enylcarbamoyl)anilino]acetic acid
CID 61193527

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid (CID 28765730) is 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid is O=C(O)CN(C(=O)Cc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid?
The InChIKey is SWPXACOUDGHCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-13-7-4-8-14(10-13)18(11-16(20)21)15(19)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,20,21).
What are the key properties of 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid?
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid has a molecular weight of 303.75 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid is sourced from PubChem (CID 28765730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).