4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide

C18H16N4O3 — CID 88757091

IUPAC4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide
SMILESN#Cc1ccc(N(c2ccc(C(=O)NO)cc2)C2CCNC2=O)cc1
InChIInChI=1S/C18H16N4O3/c19-11-12-1-5-14(6-2-12)22(16-9-10-20-18(16)24)15-7-3-13(4-8-15)17(23)21-25/h1-8,16,25H,9-10H2,(H,20,24)(H,21,23)
InChIKeyFHTONPSNAPVMFX-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.70
Rot. Bonds4

About 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide

4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide (PubChem CID 88757091) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide
PubChem CID88757091
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide
SMILESN#Cc1ccc(N(c2ccc(C(=O)NO)cc2)C2CCNC2=O)cc1
InChIInChI=1S/C18H16N4O3/c19-11-12-1-5-14(6-2-12)22(16-9-10-20-18(16)24)15-7-3-13(4-8-15)17(23)21-25/h1-8,16,25H,9-10H2,(H,20,24)(H,21,23)
InChIKeyFHTONPSNAPVMFX-UHFFFAOYSA-N
XLogP1.70
TPSA105.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide 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

Balicatib
CID 10201696
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
SK-7041
CID 6918714
SK-7068
CID 9799221
(S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile
CID 44400485
4-(diethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 46199074
4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
CID 132515051
N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide
CID 134812689
4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide
CID 165430653
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-[methyl-(1-methylpyrrolidin-3-yl)amino]phenyl]benzamide
CID 11525733
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2462605
2-{1-[4-(dimethylamino)benzoyl]-3-oxo-2-piperazinyl}-N-(4-fluorophenyl)acetamide
CID 2813010

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide?
The IUPAC name of 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide (CID 88757091) is 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide.
What is the SMILES notation for 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide?
The canonical SMILES for 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide is N#Cc1ccc(N(c2ccc(C(=O)NO)cc2)C2CCNC2=O)cc1.
What is the InChIKey of 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide?
The InChIKey is FHTONPSNAPVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-11-12-1-5-14(6-2-12)22(16-9-10-20-18(16)24)15-7-3-13(4-8-15)17(23)21-25/h1-8,16,25H,9-10H2,(H,20,24)(H,21,23).
What are the key properties of 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide?
4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide has a molecular weight of 336.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide is sourced from PubChem (CID 88757091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).