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

C19H20ClNO3 — CID 67361266

IUPAC3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1CC(CC(=O)O)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-13-5-2-3-7-15(13)11-17(12-19(23)24)21-18(22)10-14-6-4-8-16(20)9-14/h2-9,17H,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZRMFNVWRDBZHRB-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.39
Rot. Bonds7

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

3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid (PubChem CID 67361266) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
PubChem CID67361266
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
SMILESCc1ccccc1CC(CC(=O)O)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-13-5-2-3-7-15(13)11-17(12-19(23)24)21-18(22)10-14-6-4-8-16(20)9-14/h2-9,17H,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyZRMFNVWRDBZHRB-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

4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(4-cyanophenyl)butanoic acid
CID 67360113
(3R)-4-(2-cyanophenyl)-3-[[2-(2-methylphenyl)acetyl]amino]butanoic acid
CID 67360670
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133199387
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
(3S)-4-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761567
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid?
The IUPAC name of 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid (CID 67361266) is 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid?
The canonical SMILES for 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid is Cc1ccccc1CC(CC(=O)O)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid?
The InChIKey is ZRMFNVWRDBZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-13-5-2-3-7-15(13)11-17(12-19(23)24)21-18(22)10-14-6-4-8-16(20)9-14/h2-9,17H,10-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid?
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)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 3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid is sourced from PubChem (CID 67361266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).