5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide

C14H14ClIN2O — CID 86986055

IUPAC5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
SMILESN#CC1(NC(=O)c2cc(Cl)ccc2I)CCCCC1
InChIInChI=1S/C14H14ClIN2O/c15-10-4-5-12(16)11(8-10)13(19)18-14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)
InChIKeyNDAZJWXDYGQBKR-UHFFFAOYSA-N
MW388.64 g/mol
LogP3.90
Rot. Bonds2

About 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide

5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide (PubChem CID 86986055) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
PubChem CID86986055
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
SMILESN#CC1(NC(=O)c2cc(Cl)ccc2I)CCCCC1
InChIInChI=1S/C14H14ClIN2O/c15-10-4-5-12(16)11(8-10)13(19)18-14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19)
InChIKeyNDAZJWXDYGQBKR-UHFFFAOYSA-N
XLogP3.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide 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

4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
N-(1-cyanocyclopropyl)-4,5-difluoro-2-iodobenzamide
CID 71969796
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide?
The IUPAC name of 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide (CID 86986055) is 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide is N#CC1(NC(=O)c2cc(Cl)ccc2I)CCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide?
The InChIKey is NDAZJWXDYGQBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c15-10-4-5-12(16)11(8-10)13(19)18-14(9-17)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,18,19).
What are the key properties of 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide?
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide has a molecular weight of 388.64 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide is sourced from PubChem (CID 86986055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).