1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H17ClN6O2 — CID 134044027

IUPAC1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)ccc1-n1cnnn1
InChIInChI=1S/C19H17ClN6O2/c1-12-8-14(6-7-16(12)26-11-21-23-24-26)22-19(28)13-9-18(27)25(10-13)17-5-3-2-4-15(17)20/h2-8,11,13H,9-10H2,1H3,(H,22,28)
InChIKeyBUFSBMVEATZTJV-UHFFFAOYSA-N
MW396.84 g/mol
LogP2.62
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 134044027) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID134044027
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC Name1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)ccc1-n1cnnn1
InChIInChI=1S/C19H17ClN6O2/c1-12-8-14(6-7-16(12)26-11-21-23-24-26)22-19(28)13-9-18(27)25(10-13)17-5-3-2-4-15(17)20/h2-8,11,13H,9-10H2,1H3,(H,22,28)
InChIKeyBUFSBMVEATZTJV-UHFFFAOYSA-N
XLogP2.62
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 134043998
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3R)-N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056162
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
N-(3-chloro-4-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185946
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxo-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 7998981
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 134044027) is 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)ccc1-n1cnnn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BUFSBMVEATZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-12-8-14(6-7-16(12)26-11-21-23-24-26)22-19(28)13-9-18(27)25(10-13)17-5-3-2-4-15(17)20/h2-8,11,13H,9-10H2,1H3,(H,22,28).
What are the key properties of 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.84 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134044027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).