2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid

C13H13ClF2N2O3 — CID 83074600

IUPAC2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C13H13ClF2N2O3/c14-9-3-8(15)4-10(16)12(9)17-13(21)18(6-11(19)20)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,17,21)(H,19,20)
InChIKeyDIWPZHJVAPPXPE-UHFFFAOYSA-N
MW318.71 g/mol
LogP2.95
Rot. Bonds5

About 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 83074600) has the molecular formula C13H13ClF2N2O3 and a molecular weight of 318.71 g/mol. Its IUPAC name is 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID83074600
Molecular FormulaC13H13ClF2N2O3
Molecular Weight318.71 g/mol
Exact Mass318.06
IUPAC Name2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C13H13ClF2N2O3/c14-9-3-8(15)4-10(16)12(9)17-13(21)18(6-11(19)20)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,17,21)(H,19,20)
InChIKeyDIWPZHJVAPPXPE-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]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-[(2-chloro-4,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 83087251
2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[(2-bromo-4,6-difluorophenyl)carbamoyl-(carboxymethyl)amino]acetic acid
CID 63645609
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
2-[(4-chloro-2,5-difluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 82782290
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[carboxymethyl-[(2,4,6-trichlorophenyl)carbamoyl]amino]acetic acid
CID 63646935
4-[(2-chloro-4,6-difluorophenyl)carbamoyl-methylamino]butanoic acid
CID 83087788
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655962
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 107792005

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid (CID 83074600) is 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is DIWPZHJVAPPXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O3/c14-9-3-8(15)4-10(16)12(9)17-13(21)18(6-11(19)20)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,17,21)(H,19,20).
What are the key properties of 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 318.71 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 83074600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).