N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide

C15H19ClINO — CID 113273147

IUPACN-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
SMILESCC1CCCC(CCl)(NC(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C15H19ClINO/c1-11-3-2-8-15(9-11,10-16)18-14(19)12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyROELAZFTCZCMCF-UHFFFAOYSA-N
MW391.68 g/mol
LogP4.21
Rot. Bonds3

About N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide

N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide (PubChem CID 113273147) has the molecular formula C15H19ClINO and a molecular weight of 391.68 g/mol. Its IUPAC name is N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
PubChem CID113273147
Molecular FormulaC15H19ClINO
Molecular Weight391.68 g/mol
Exact Mass391.02
IUPAC NameN-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
SMILESCC1CCCC(CCl)(NC(=O)c2ccc(I)cc2)C1
InChIInChI=1S/C15H19ClINO/c1-11-3-2-8-15(9-11,10-16)18-14(19)12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyROELAZFTCZCMCF-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 54.21
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

3-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 103212407
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732635
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-fluoro-3-methylbenzamide
CID 114303948
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 114303991
N-[1-(chloromethyl)-3-methylcyclohexyl]-3,4,5-trifluorobenzamide
CID 114304031
N-[1-(chloromethyl)-3-methylcyclohexyl]-2,6-difluorobenzamide
CID 114304014
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-hydroxy-2-methylbenzamide
CID 107673046
N-[1-(chloromethyl)-3-methylcyclohexyl]-1,2-oxazole-3-carboxamide
CID 114304118
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[1-(chloromethyl)-3-methylcyclohexyl]-1H-pyrazole-5-carboxamide
CID 114303998
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide?
The IUPAC name of N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide (CID 113273147) is N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide.
What is the SMILES notation for N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide?
The canonical SMILES for N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide is CC1CCCC(CCl)(NC(=O)c2ccc(I)cc2)C1.
What is the InChIKey of N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide?
The InChIKey is ROELAZFTCZCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClINO/c1-11-3-2-8-15(9-11,10-16)18-14(19)12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide?
N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide has a molecular weight of 391.68 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide is sourced from PubChem (CID 113273147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).