N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide

C18H16N4O3 — CID 123989700

IUPACN-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
SMILESN#Cc1ccc(N2CCC(NN(O)C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N4O3/c19-12-13-6-8-15(9-7-13)21-11-10-16(18(21)24)20-22(25)17(23)14-4-2-1-3-5-14/h1-9,16,20,25H,10-11H2
InChIKeyGKXXTHOMSJSHRZ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.70
Rot. Bonds4

About N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide

N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide (PubChem CID 123989700) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
PubChem CID123989700
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide
SMILESN#Cc1ccc(N2CCC(NN(O)C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N4O3/c19-12-13-6-8-15(9-7-13)21-11-10-16(18(21)24)20-22(25)17(23)14-4-2-1-3-5-14/h1-9,16,20,25H,10-11H2
InChIKeyGKXXTHOMSJSHRZ-UHFFFAOYSA-N
XLogP1.70
TPSA96.67 Ų
H-Bond Donors2
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 ≤ 52
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'}

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Related Compounds

4-(3-amino-2-oxopyrrolidin-1-yl)benzonitrile;2-hydroxy-2-phenylacetic acid
CID 85050210
2-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 19697197
3-[[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoyl-ethenylamino]propanoic acid
CID 22882876
3-[[[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]amino]methyl]benzoic acid
CID 122032701
4-[2-oxo-3-(3-phenylsulfanylanilino)pyrrolidin-1-yl]benzonitrile
CID 166207233
4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile
CID 70793903
3-[[1-(4-cyanophenyl)-2-oxopiperidin-3-yl]carbamoyl-methylamino]propanoic acid
CID 122009523
butyl 3-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 19358250
4-[[5-[2-[[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 142048930
(2S)-3-[[2-[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 139699976
ethyl 3-[[(3S)-1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]butanoate
CID 70083534
4-[(1S)-1-hydroxy-2-[methyl-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]amino]ethyl]benzonitrile
CID 124725716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide?
The IUPAC name of N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide (CID 123989700) is N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide is N#Cc1ccc(N2CCC(NN(O)C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide?
The InChIKey is GKXXTHOMSJSHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-12-13-6-8-15(9-7-13)21-11-10-16(18(21)24)20-22(25)17(23)14-4-2-1-3-5-14/h1-9,16,20,25H,10-11H2.
What are the key properties of N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide?
N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide has a molecular weight of 336.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 123989700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).