3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide

C16H21ClINO2 — CID 103209091

IUPAC3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C16H21ClINO2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)12-3-4-14(18)13(17)9-12/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,19,20)
InChIKeyDBHOZBXOOADTDP-UHFFFAOYSA-N
MW421.71 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide

3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide (PubChem CID 103209091) has the molecular formula C16H21ClINO2 and a molecular weight of 421.71 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
PubChem CID103209091
Molecular FormulaC16H21ClINO2
Molecular Weight421.71 g/mol
Exact Mass421.03
IUPAC Name3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(I)c(Cl)c2)CC1
InChIInChI=1S/C16H21ClINO2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)12-3-4-14(18)13(17)9-12/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,19,20)
InChIKeyDBHOZBXOOADTDP-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.71
LogP ≤ 54.01
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

3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65124177

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide (CID 103209091) is 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide is CCC1CCC(O)(CNC(=O)c2ccc(I)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide?
The InChIKey is DBHOZBXOOADTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClINO2/c1-2-11-5-7-16(21,8-6-11)10-19-15(20)12-3-4-14(18)13(17)9-12/h3-4,9,11,21H,2,5-8,10H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide?
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide has a molecular weight of 421.71 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide is sourced from PubChem (CID 103209091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).