2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid

C15H21ClN2O3 — CID 60833216

IUPAC2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid
SMILESCCCC(C)NC(=O)CN(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-3-5-11(2)17-14(19)9-18(10-15(20)21)13-7-4-6-12(16)8-13/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyGORHPPVUPOHFFJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.54
Rot. Bonds8

About 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid

2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid (PubChem CID 60833216) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid
PubChem CID60833216
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid
SMILESCCCC(C)NC(=O)CN(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-3-5-11(2)17-14(19)9-18(10-15(20)21)13-7-4-6-12(16)8-13/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyGORHPPVUPOHFFJ-UHFFFAOYSA-N
XLogP2.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]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-methylpentyl)anilino]acetic acid
CID 63402361
3-(N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)propanoic acid
CID 60839757
2-[N-(carboxymethyl)-3-chloroanilino]acetate
CID 58908246
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2R)-butan-2-yl]acetamide
CID 40537954
2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
2-[3-chloro-N-[3-(dimethylamino)propyl]anilino]acetic acid
CID 114525879
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
2-[3-chloro-N-(3-methylpentan-2-ylcarbamoyl)anilino]acetic acid
CID 61465565
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
2-(3-chloro-N-(3-ethoxy-3-oxopropyl)anilino)acetic acid
CID 23052891
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
2-[(3-chlorophenyl)methyl-methylamino]-N-heptan-2-ylacetamide
CID 56827984

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid (CID 60833216) is 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid is CCCC(C)NC(=O)CN(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid?
The InChIKey is GORHPPVUPOHFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-5-11(2)17-14(19)9-18(10-15(20)21)13-7-4-6-12(16)8-13/h4,6-8,11H,3,5,9-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid?
2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid has a molecular weight of 312.80 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid is sourced from PubChem (CID 60833216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).