3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide

C14H17ClINO2 — CID 103736731

IUPAC3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H17ClINO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h5-7,10,13,18H,1-4,8H2,(H,17,19)
InChIKeyJPUGFVBHJBFFFU-UHFFFAOYSA-N
MW393.65 g/mol
LogP3.23
Rot. Bonds3

About 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide

3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide (PubChem CID 103736731) has the molecular formula C14H17ClINO2 and a molecular weight of 393.65 g/mol. Its IUPAC name is 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
PubChem CID103736731
Molecular FormulaC14H17ClINO2
Molecular Weight393.65 g/mol
Exact Mass393.00
IUPAC Name3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H17ClINO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h5-7,10,13,18H,1-4,8H2,(H,17,19)
InChIKeyJPUGFVBHJBFFFU-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
3-chloro-N-(2-cyclohexylethyl)-4-iodobenzamide
CID 103221269
N-[(3-bromocyclohexyl)methyl]-3-chloro-4-iodobenzamide
CID 114147750
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81290637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide (CID 103736731) is 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide is O=C(NCC1CCCCC1O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide?
The InChIKey is JPUGFVBHJBFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO2/c15-11-7-9(5-6-12(11)16)14(19)17-8-10-3-1-2-4-13(10)18/h5-7,10,13,18H,1-4,8H2,(H,17,19).
What are the key properties of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide?
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide has a molecular weight of 393.65 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide is sourced from PubChem (CID 103736731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).