4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid

C18H20ClNO2 — CID 120511853

IUPAC4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c19-16-8-4-7-15(11-16)13-20-17(9-10-18(21)22)12-14-5-2-1-3-6-14/h1-8,11,17,20H,9-10,12-13H2,(H,21,22)
InChIKeyDCJKSDFTLKJDMO-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.91
Rot. Bonds8

About 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid

4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid (PubChem CID 120511853) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
PubChem CID120511853
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2/c19-16-8-4-7-15(11-16)13-20-17(9-10-18(21)22)12-14-5-2-1-3-6-14/h1-8,11,17,20H,9-10,12-13H2,(H,21,22)
InChIKeyDCJKSDFTLKJDMO-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

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Related Compounds

4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
4-[[3-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120512041
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(2-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511981
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
4-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511969
4-[(5-chloro-2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045687

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid (CID 120511853) is 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid?
The InChIKey is DCJKSDFTLKJDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-16-8-4-7-15(11-16)13-20-17(9-10-18(21)22)12-14-5-2-1-3-6-14/h1-8,11,17,20H,9-10,12-13H2,(H,21,22).
What are the key properties of 4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid?
4-[(3-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-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).