4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide

C20H23N3O3 — CID 2948532

IUPAC4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(NC(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H23N3O3/c1-14-6-5-9-17(12-14)22-20(24)15-10-11-18(19(13-15)23(25)26)21-16-7-3-2-4-8-16/h5-6,9-13,16,21H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyXCBBUJIIYVSPHM-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.90
Rot. Bonds5

About 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide

4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide (PubChem CID 2948532) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
PubChem CID2948532
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(NC(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H23N3O3/c1-14-6-5-9-17(12-14)22-20(24)15-10-11-18(19(13-15)23(25)26)21-16-7-3-2-4-8-16/h5-6,9-13,16,21H,2-4,7-8H2,1H3,(H,22,24)
InChIKeyXCBBUJIIYVSPHM-UHFFFAOYSA-N
XLogP4.90
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9151199
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
4-(cyclopropylamino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide
CID 9147384
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
4-(cyclopropylamino)-N-[3-(diethylaminomethyl)phenyl]-3-nitrobenzamide
CID 46413061
4-(cyclopropylamino)-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 7923542
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
4-(2-aminoethylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2947816

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide (CID 2948532) is 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide is Cc1cccc(NC(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
The InChIKey is XCBBUJIIYVSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-6-5-9-17(12-14)22-20(24)15-10-11-18(19(13-15)23(25)26)21-16-7-3-2-4-8-16/h5-6,9-13,16,21H,2-4,7-8H2,1H3,(H,22,24).
What are the key properties of 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide?
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide has a molecular weight of 353.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 2948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).