4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid

C19H20ClNO3 — CID 67362285

IUPAC4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1cccc(CC(=O)NC(CC(=O)O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClNO3/c1-13-4-2-5-14(8-13)11-18(22)21-17(12-19(23)24)10-15-6-3-7-16(20)9-15/h2-9,17H,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyOIFJWATWJUMTOY-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.39
Rot. Bonds7

About 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid

4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 67362285) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
PubChem CID67362285
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
SMILESCc1cccc(CC(=O)NC(CC(=O)O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C19H20ClNO3/c1-13-4-2-5-14(8-13)11-18(22)21-17(12-19(23)24)10-15-6-3-7-16(20)9-15/h2-9,17H,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyOIFJWATWJUMTOY-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
CID 67361266
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(4-cyanophenyl)butanoic acid
CID 67360113
(3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761567
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 67362415
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid (CID 67362285) is 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid is Cc1cccc(CC(=O)NC(CC(=O)O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is OIFJWATWJUMTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-4-2-5-14(8-13)11-18(22)21-17(12-19(23)24)10-15-6-3-7-16(20)9-15/h2-9,17H,10-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid?
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 345.83 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 67362285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).