N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H19N5O3 — CID 17153815

IUPACN-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)n2nnc3ccccc32)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H19N5O3/c30-22-14-17(15-28(22)19-6-2-1-3-7-19)23(31)25-18-12-10-16(11-13-18)24(32)29-21-9-5-4-8-20(21)26-27-29/h1-13,17H,14-15H2,(H,25,31)
InChIKeyYUEYYVWGSANSQQ-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.11
Rot. Bonds4

About N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153815) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153815
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)n2nnc3ccccc32)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H19N5O3/c30-22-14-17(15-28(22)19-6-2-1-3-7-19)23(31)25-18-12-10-16(11-13-18)24(32)29-21-9-5-4-8-20(21)26-27-29/h1-13,17H,14-15H2,(H,25,31)
InChIKeyYUEYYVWGSANSQQ-UHFFFAOYSA-N
XLogP3.11
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-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

5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 94830866
N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153825
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153815) is N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(C(=O)n2nnc3ccccc32)cc1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YUEYYVWGSANSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c30-22-14-17(15-28(22)19-6-2-1-3-7-19)23(31)25-18-12-10-16(11-13-18)24(32)29-21-9-5-4-8-20(21)26-27-29/h1-13,17H,14-15H2,(H,25,31).
What are the key properties of N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzotriazole-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).