2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid

C18H18ClNO3 — CID 134589022

IUPAC2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)O
InChIInChI=1S/C18H18ClNO3/c1-18(2,17(22)23)20-16(21)11-12-4-3-5-14(10-12)13-6-8-15(19)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRFVMEILHRRILLR-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.53
Rot. Bonds5

About 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid

2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid (PubChem CID 134589022) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
PubChem CID134589022
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)O
InChIInChI=1S/C18H18ClNO3/c1-18(2,17(22)23)20-16(21)11-12-4-3-5-14(10-12)13-6-8-15(19)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRFVMEILHRRILLR-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
3-[[2-(3-chlorophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261502
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503915
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 61261362
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 108808131
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
2,2-dimethyl-4-[[3-(4-methylphenyl)phenyl]methylamino]butanoic acid
CID 122127079
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
2-[[2-[3-(4-butylphenyl)phenyl]acetyl]amino]-4-chlorobenzoic acid
CID 146620035

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid (CID 134589022) is 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)O.
What is the InChIKey of 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid?
The InChIKey is RFVMEILHRRILLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-18(2,17(22)23)20-16(21)11-12-4-3-5-14(10-12)13-6-8-15(19)9-7-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid?
2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid has a molecular weight of 331.80 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(4-chlorophenyl)phenyl]acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 134589022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).