3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide

C15H18Cl2INO — CID 103212632

IUPAC3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H18Cl2INO/c16-9-15(6-2-1-3-7-15)10-19-14(20)11-4-5-13(18)12(17)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyUXRKSQVSEVLLCD-UHFFFAOYSA-N
MW426.13 g/mol
LogP4.86
Rot. Bonds4

About 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide

3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide (PubChem CID 103212632) has the molecular formula C15H18Cl2INO and a molecular weight of 426.13 g/mol. Its IUPAC name is 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
PubChem CID103212632
Molecular FormulaC15H18Cl2INO
Molecular Weight426.13 g/mol
Exact Mass424.98
IUPAC Name3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H18Cl2INO/c16-9-15(6-2-1-3-7-15)10-19-14(20)11-4-5-13(18)12(17)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20)
InChIKeyUXRKSQVSEVLLCD-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.13
LogP ≤ 54.86
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

3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115363867
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-iodothiophene-3-carboxamide
CID 103969561
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide (CID 103212632) is 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide is O=C(NCC1(CCl)CCCCC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide?
The InChIKey is UXRKSQVSEVLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2INO/c16-9-15(6-2-1-3-7-15)10-19-14(20)11-4-5-13(18)12(17)8-11/h4-5,8H,1-3,6-7,9-10H2,(H,19,20).
What are the key properties of 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide?
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide has a molecular weight of 426.13 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide is sourced from PubChem (CID 103212632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).