4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid

C18H20ClNO2 — CID 120511981

IUPAC4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c19-17-9-5-4-8-15(17)13-20-16(10-11-18(21)22)12-14-6-2-1-3-7-14/h1-9,16,20H,10-13H2,(H,21,22)
InChIKeyMNDPSHVQNUZCST-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.91
Rot. Bonds8

About 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid

4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 120511981) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
PubChem CID120511981
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c19-17-9-5-4-8-15(17)13-20-16(10-11-18(21)22)12-14-6-2-1-3-7-14/h1-9,16,20H,10-13H2,(H,21,22)
InChIKeyMNDPSHVQNUZCST-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic 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

(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045850
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(5-chlorothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511860
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
4-[(5-chloro-2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045687
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(7-chloro-3-methyl-1-benzothiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 122045748

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid (CID 120511981) is 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is MNDPSHVQNUZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-17-9-5-4-8-15(17)13-20-16(10-11-18(21)22)12-14-6-2-1-3-7-14/h1-9,16,20H,10-13H2,(H,21,22).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid?
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid has a molecular weight of 317.82 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).