4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide

C14H17ClINO — CID 38911122

IUPAC4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(Cl)cc2I)CC1
InChIInChI=1S/C14H17ClINO/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(15)8-13(12)16/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyTYDFRIBBHZDABO-UHFFFAOYSA-N
MW377.65 g/mol
LogP4.25
Rot. Bonds2

About 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide

4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide (PubChem CID 38911122) has the molecular formula C14H17ClINO and a molecular weight of 377.65 g/mol. Its IUPAC name is 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
PubChem CID38911122
Molecular FormulaC14H17ClINO
Molecular Weight377.65 g/mol
Exact Mass377.00
IUPAC Name4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(Cl)cc2I)CC1
InChIInChI=1S/C14H17ClINO/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(15)8-13(12)16/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18)
InChIKeyTYDFRIBBHZDABO-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-chloro-2-iodo-N-(1-methylpiperidin-4-yl)benzamide
CID 47219742
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-N-cyclopropyl-2-methylbenzamide;5-chloro-2-methylbenzoic acid
CID 159378418
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
4-chloro-6-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 81225864
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide (CID 38911122) is 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(Cl)cc2I)CC1.
What is the InChIKey of 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide?
The InChIKey is TYDFRIBBHZDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO/c1-9-2-5-11(6-3-9)17-14(18)12-7-4-10(15)8-13(12)16/h4,7-9,11H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide?
4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide has a molecular weight of 377.65 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 38911122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).