1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid

C20H20N2O4 — CID 119354954

IUPAC1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)C2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-13-7-8-15(19(24)22-10-9-16(12-22)20(25)26)11-17(13)21-18(23)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)(H,25,26)
InChIKeyZDZVIZYAVUGCJQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid

1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119354954) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID119354954
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)C2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-13-7-8-15(19(24)22-10-9-16(12-22)20(25)26)11-17(13)21-18(23)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)(H,25,26)
InChIKeyZDZVIZYAVUGCJQ-UHFFFAOYSA-N
XLogP2.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
1-(3-chloro-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 55162757
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid (CID 119354954) is 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCC(C(=O)O)C2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZDZVIZYAVUGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-7-8-15(19(24)22-10-9-16(12-22)20(25)26)11-17(13)21-18(23)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid?
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).