N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide

C16H21Cl2NO — CID 103969492

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H21Cl2NO/c17-11-16(8-2-1-3-9-16)12-19-15(20)10-13-4-6-14(18)7-5-13/h4-7H,1-3,8-12H2,(H,19,20)
InChIKeyAFVUDNWBEJDYTP-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.19
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide (PubChem CID 103969492) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
PubChem CID103969492
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1(CCl)CCCCC1
InChIInChI=1S/C16H21Cl2NO/c17-11-16(8-2-1-3-9-16)12-19-15(20)10-13-4-6-14(18)7-5-13/h4-7H,1-3,8-12H2,(H,19,20)
InChIKeyAFVUDNWBEJDYTP-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
1-[[[2-(4-chlorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311997
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide (CID 103969492) is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is AFVUDNWBEJDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c17-11-16(8-2-1-3-9-16)12-19-15(20)10-13-4-6-14(18)7-5-13/h4-7H,1-3,8-12H2,(H,19,20).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 314.26 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 103969492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).