N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide

C15H19Cl2NO — CID 106132016

IUPACN-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC1CCCC(Cl)C1
InChIInChI=1S/C15H19Cl2NO/c16-13-5-1-3-11(7-13)9-15(19)18-10-12-4-2-6-14(17)8-12/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,19)
InChIKeyQXTHLMOCDSMNBF-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.80
Rot. Bonds4

About N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide

N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide (PubChem CID 106132016) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide
PubChem CID106132016
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCC1CCCC(Cl)C1
InChIInChI=1S/C15H19Cl2NO/c16-13-5-1-3-11(7-13)9-15(19)18-10-12-4-2-6-14(17)8-12/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,19)
InChIKeyQXTHLMOCDSMNBF-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.80
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-[(3-bromocyclopentyl)methyl]-2-(3-chlorophenyl)acetamide
CID 106128298
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
N-(2-bromo-2-cyclopropylethyl)-2-(3-chlorophenyl)acetamide
CID 114315718
N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
N-[(3-chlorocyclohexyl)methyl]-3-(3-methylphenoxy)propanamide
CID 106131941

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide (CID 106132016) is N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NCC1CCCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is QXTHLMOCDSMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-13-5-1-3-11(7-13)9-15(19)18-10-12-4-2-6-14(17)8-12/h1,3,5,7,12,14H,2,4,6,8-10H2,(H,18,19).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide?
N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 300.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 106132016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).