2-amino-N-(1-cyanocyclohexyl)benzamide

C14H17N3O — CID 110474346

IUPAC2-amino-N-(1-cyanocyclohexyl)benzamide
SMILESN#CC1(NC(=O)c2ccccc2N)CCCCC1
InChIInChI=1S/C14H17N3O/c15-10-14(8-4-1-5-9-14)17-13(18)11-6-2-3-7-12(11)16/h2-3,6-7H,1,4-5,8-9,16H2,(H,17,18)
InChIKeyRMJQCXISUGQTCZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-N-(1-cyanocyclohexyl)benzamide

2-amino-N-(1-cyanocyclohexyl)benzamide (PubChem CID 110474346) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N-(1-cyanocyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanocyclohexyl)benzamide
PubChem CID110474346
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-amino-N-(1-cyanocyclohexyl)benzamide
SMILESN#CC1(NC(=O)c2ccccc2N)CCCCC1
InChIInChI=1S/C14H17N3O/c15-10-14(8-4-1-5-9-14)17-13(18)11-6-2-3-7-12(11)16/h2-3,6-7H,1,4-5,8-9,16H2,(H,17,18)
InChIKeyRMJQCXISUGQTCZ-UHFFFAOYSA-N
XLogP2.23
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
CID 60704762
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
N-(1-cyanocyclohexyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 61120527
methyl 1-[(2-aminobenzoyl)amino]cyclohexane-1-carboxylate
CID 139798702
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
2-bromo-N-(4-cyanooxan-4-yl)benzamide
CID 82308733
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
N-(1-cyanocyclopentyl)quinoline-4-carboxamide
CID 112722770
N-(1-cyanocyclooctyl)furan-2-carboxamide
CID 54904517
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanocyclohexyl)benzamide?
The IUPAC name of 2-amino-N-(1-cyanocyclohexyl)benzamide (CID 110474346) is 2-amino-N-(1-cyanocyclohexyl)benzamide.
What is the SMILES notation for 2-amino-N-(1-cyanocyclohexyl)benzamide?
The canonical SMILES for 2-amino-N-(1-cyanocyclohexyl)benzamide is N#CC1(NC(=O)c2ccccc2N)CCCCC1.
What is the InChIKey of 2-amino-N-(1-cyanocyclohexyl)benzamide?
The InChIKey is RMJQCXISUGQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-14(8-4-1-5-9-14)17-13(18)11-6-2-3-7-12(11)16/h2-3,6-7H,1,4-5,8-9,16H2,(H,17,18).
What are the key properties of 2-amino-N-(1-cyanocyclohexyl)benzamide?
2-amino-N-(1-cyanocyclohexyl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanocyclohexyl)benzamide is sourced from PubChem (CID 110474346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).