N-(cyclohexylmethyl)-4-iodobenzamide

C14H18INO — CID 42992498

IUPACN-(cyclohexylmethyl)-4-iodobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C14H18INO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,17)
InChIKeyTZRQJAPIAKMKGK-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.60
Rot. Bonds3

About N-(cyclohexylmethyl)-4-iodobenzamide

N-(cyclohexylmethyl)-4-iodobenzamide (PubChem CID 42992498) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-iodobenzamide
PubChem CID42992498
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC NameN-(cyclohexylmethyl)-4-iodobenzamide
SMILESO=C(NCC1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C14H18INO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,17)
InChIKeyTZRQJAPIAKMKGK-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.60
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

N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
[4-(cyclohexylmethylcarbamoyl)phenyl]boronic acid
CID 71430774
N-(3-cyclopentylpropyl)-4-iodobenzamide
CID 106012290
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
N-[(2-bromocyclohexyl)methyl]-4-iodobenzamide
CID 114312139
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-iodobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-iodobenzamide (CID 42992498) is N-(cyclohexylmethyl)-4-iodobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-iodobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-iodobenzamide is O=C(NCC1CCCCC1)c1ccc(I)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-iodobenzamide?
The InChIKey is TZRQJAPIAKMKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,16,17).
What are the key properties of N-(cyclohexylmethyl)-4-iodobenzamide?
N-(cyclohexylmethyl)-4-iodobenzamide has a molecular weight of 343.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-iodobenzamide is sourced from PubChem (CID 42992498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).