4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide

C19H18N4O3 — CID 86917732

IUPAC4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide
SMILESN#CC1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C19H18N4O3/c20-13-19(10-4-5-11-19)22-18(24)14-8-9-16(17(12-14)23(25)26)21-15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11H2,(H,22,24)
InChIKeyCIKPGSQPVRZUMM-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.90
Rot. Bonds5

About 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide

4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide (PubChem CID 86917732) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide
PubChem CID86917732
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide
SMILESN#CC1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCC1
InChIInChI=1S/C19H18N4O3/c20-13-19(10-4-5-11-19)22-18(24)14-8-9-16(17(12-14)23(25)26)21-15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11H2,(H,22,24)
InChIKeyCIKPGSQPVRZUMM-UHFFFAOYSA-N
XLogP3.90
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-anilino-N-methyl-3-nitrobenzamide
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4-anilino-3-nitrobenzoic acid
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3-chloro-N-(1-cyanocyclopentyl)-4-fluoro-5-nitrobenzamide
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4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
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4-anilino-N-(furan-2-ylmethyl)-3-nitrobenzamide
CID 27649998
4-anilino-3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
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4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
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CID 55691880

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide?
The IUPAC name of 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide (CID 86917732) is 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide.
What is the SMILES notation for 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide?
The canonical SMILES for 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide is N#CC1(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCCC1.
What is the InChIKey of 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide?
The InChIKey is CIKPGSQPVRZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-13-19(10-4-5-11-19)22-18(24)14-8-9-16(17(12-14)23(25)26)21-15-6-2-1-3-7-15/h1-3,6-9,12,21H,4-5,10-11H2,(H,22,24).
What are the key properties of 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide?
4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide has a molecular weight of 350.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(1-cyanocyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 86917732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).