N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C19H23N3O2 — CID 87012107

IUPACN-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-13-10-16(13)18(24)21-15-7-5-6-14(11-15)17(23)22-19(12-20)8-3-2-4-9-19/h5-7,11,13,16H,2-4,8-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyFUHMDJTURYADCQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.24
Rot. Bonds4

About N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 87012107) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID87012107
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C19H23N3O2/c1-13-10-16(13)18(24)21-15-7-5-6-14(11-15)17(23)22-19(12-20)8-3-2-4-9-19/h5-7,11,13,16H,2-4,8-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyFUHMDJTURYADCQ-UHFFFAOYSA-N
XLogP3.24
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
methyl 1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylate
CID 55670750
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
1-[methyl-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539430
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 87012107) is N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)NC2(C#N)CCCCC2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is FUHMDJTURYADCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-10-16(13)18(24)21-15-7-5-6-14(11-15)17(23)22-19(12-20)8-3-2-4-9-19/h5-7,11,13,16H,2-4,8-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 87012107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).