N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide

C14H17ClINO — CID 112752839

IUPACN-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide
SMILESO=C(NC1CCCC(CCl)C1)c1ccc(I)cc1
InChIInChI=1S/C14H17ClINO/c15-9-10-2-1-3-13(8-10)17-14(18)11-4-6-12(16)7-5-11/h4-7,10,13H,1-3,8-9H2,(H,17,18)
InChIKeyCDGXNXBARSKNMK-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.82
Rot. Bonds3

About N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide

N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide (PubChem CID 112752839) has the molecular formula C14H17ClINO and a molecular weight of 377.65 g/mol. Its IUPAC name is N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide
PubChem CID112752839
Molecular FormulaC14H17ClINO
Molecular Weight377.65 g/mol
Exact Mass377.00
IUPAC NameN-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide
SMILESO=C(NC1CCCC(CCl)C1)c1ccc(I)cc1
InChIInChI=1S/C14H17ClINO/c15-9-10-2-1-3-13(8-10)17-14(18)11-4-6-12(16)7-5-11/h4-7,10,13H,1-3,8-9H2,(H,17,18)
InChIKeyCDGXNXBARSKNMK-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748627
4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
CID 112752852
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
[(1S,3R)-3-benzamidocyclohexyl]methyl-methylborinic acid
CID 167658164
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
CID 69078497
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide?
The IUPAC name of N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide (CID 112752839) is N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide.
What is the SMILES notation for N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide?
The canonical SMILES for N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide is O=C(NC1CCCC(CCl)C1)c1ccc(I)cc1.
What is the InChIKey of N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide?
The InChIKey is CDGXNXBARSKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO/c15-9-10-2-1-3-13(8-10)17-14(18)11-4-6-12(16)7-5-11/h4-7,10,13H,1-3,8-9H2,(H,17,18).
What are the key properties of N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide?
N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide has a molecular weight of 377.65 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide is sourced from PubChem (CID 112752839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).