4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid

C19H20ClNO3 — CID 119168896

IUPAC4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
SMILESCC(C)(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-19(2,15-7-9-16(20)10-8-15)18(24)21-12-11-13-3-5-14(6-4-13)17(22)23/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDFIDKSNDNXXVQD-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.67
Rot. Bonds6

About 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid

4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid (PubChem CID 119168896) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
PubChem CID119168896
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
SMILESCC(C)(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO3/c1-19(2,15-7-9-16(20)10-8-15)18(24)21-12-11-13-3-5-14(6-4-13)17(22)23/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDFIDKSNDNXXVQD-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
5-[[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246277
4-[[[2-methyl-2-(4-methylphenyl)propanoyl]amino]methyl]benzoic acid
CID 119165621
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119504580
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
4-[2-[3-(2,2-dimethylpropanoylamino)propanoylamino]ethyl]benzoic acid
CID 75415241
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198054
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid (CID 119168896) is 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid is CC(C)(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid?
The InChIKey is DFIDKSNDNXXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-19(2,15-7-9-16(20)10-8-15)18(24)21-12-11-13-3-5-14(6-4-13)17(22)23/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid?
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid has a molecular weight of 345.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 119168896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).