3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid

C19H20ClNO3 — CID 3310163

IUPAC3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid
SMILESCc1c(Cl)cccc1NC(=O)C(CC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C19H20ClNO3/c1-12(14-7-4-3-5-8-14)15(11-18(22)23)19(24)21-17-10-6-9-16(20)13(17)2/h3-10,12,15H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFKGMRMZWDUIXMG-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.48
Rot. Bonds6

About 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid

3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid (PubChem CID 3310163) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid
PubChem CID3310163
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid
SMILESCc1c(Cl)cccc1NC(=O)C(CC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C19H20ClNO3/c1-12(14-7-4-3-5-8-14)15(11-18(22)23)19(24)21-17-10-6-9-16(20)13(17)2/h3-10,12,15H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFKGMRMZWDUIXMG-UHFFFAOYSA-N
XLogP4.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-N-(3-chloro-2-methylphenyl)propanamide
CID 55430532
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61183462
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(3S,4R)-3-(benzylcarbamoyl)-4-phenylpentanoic acid
CID 805106
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid?
The IUPAC name of 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid (CID 3310163) is 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid.
What is the SMILES notation for 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid?
The canonical SMILES for 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid is Cc1c(Cl)cccc1NC(=O)C(CC(=O)O)C(C)c1ccccc1.
What is the InChIKey of 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid?
The InChIKey is FKGMRMZWDUIXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-12(14-7-4-3-5-8-14)15(11-18(22)23)19(24)21-17-10-6-9-16(20)13(17)2/h3-10,12,15H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid?
3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid has a molecular weight of 345.83 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid is sourced from PubChem (CID 3310163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).