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'}

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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).