N-(cyclohexylmethylideneamino)-4-nitrobenzamide

C14H17N3O3 — CID 4625468

IUPACN-(cyclohexylmethylideneamino)-4-nitrobenzamide
SMILESO=C(NN=CC1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H17N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,16,18)
InChIKeyWRKTWUQQWLTFQI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.89
Rot. Bonds4

About N-(cyclohexylmethylideneamino)-4-nitrobenzamide

N-(cyclohexylmethylideneamino)-4-nitrobenzamide (PubChem CID 4625468) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(cyclohexylmethylideneamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethylideneamino)-4-nitrobenzamide
PubChem CID4625468
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(cyclohexylmethylideneamino)-4-nitrobenzamide
SMILESO=C(NN=CC1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H17N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,16,18)
InChIKeyWRKTWUQQWLTFQI-UHFFFAOYSA-N
XLogP2.89
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 88553627
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-4-nitrobenzamide
CID 7104045
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-(cyclohexylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 5128114
N-[(Z)-cyclohexen-1-ylmethylideneamino]-4-nitrobenzamide
CID 42065755
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
N-[(1R,2R)-2-azidocycloheptyl]-4-nitrobenzamide
CID 102037484
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethylideneamino)-4-nitrobenzamide?
The IUPAC name of N-(cyclohexylmethylideneamino)-4-nitrobenzamide (CID 4625468) is N-(cyclohexylmethylideneamino)-4-nitrobenzamide.
What is the SMILES notation for N-(cyclohexylmethylideneamino)-4-nitrobenzamide?
The canonical SMILES for N-(cyclohexylmethylideneamino)-4-nitrobenzamide is O=C(NN=CC1CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(cyclohexylmethylideneamino)-4-nitrobenzamide?
The InChIKey is WRKTWUQQWLTFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(12-6-8-13(9-7-12)17(19)20)16-15-10-11-4-2-1-3-5-11/h6-11H,1-5H2,(H,16,18).
What are the key properties of N-(cyclohexylmethylideneamino)-4-nitrobenzamide?
N-(cyclohexylmethylideneamino)-4-nitrobenzamide has a molecular weight of 275.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethylideneamino)-4-nitrobenzamide is sourced from PubChem (CID 4625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).