3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide

C14H17ClINO — CID 103222033

IUPAC3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2ccc(I)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H17ClINO/c1-14(7-3-2-4-8-14)17-13(18)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPQMDLNIAECJMLL-UHFFFAOYSA-N
MW377.65 g/mol
LogP4.40
Rot. Bonds2

About 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide

3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide (PubChem CID 103222033) has the molecular formula C14H17ClINO and a molecular weight of 377.65 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
PubChem CID103222033
Molecular FormulaC14H17ClINO
Molecular Weight377.65 g/mol
Exact Mass377.00
IUPAC Name3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2ccc(I)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H17ClINO/c1-14(7-3-2-4-8-14)17-13(18)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyPQMDLNIAECJMLL-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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

3-chloro-4-iodo-N-(3-methyloxolan-3-yl)benzamide
CID 103852243
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
(E)-3-[2-chloro-4-[(1-methylcyclopentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81295028
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
3-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-4-iodobenzamide
CID 103212407
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
4-(methylamino)-N-(1-methylcyclohexyl)benzamide
CID 62175113
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide (CID 103222033) is 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide is CC1(NC(=O)c2ccc(I)c(Cl)c2)CCCCC1.
What is the InChIKey of 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide?
The InChIKey is PQMDLNIAECJMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO/c1-14(7-3-2-4-8-14)17-13(18)10-5-6-12(16)11(15)9-10/h5-6,9H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide?
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide has a molecular weight of 377.65 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide is sourced from PubChem (CID 103222033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).