N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide

C14H19ClN2O — CID 114270030

IUPACN-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
SMILESNc1cccc(NC(=O)CC2CCCCC2)c1Cl
InChIInChI=1S/C14H19ClN2O/c15-14-11(16)7-4-8-12(14)17-13(18)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18)
InChIKeyGIWHRFMVGHTDPL-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.83
Rot. Bonds3

About N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide

N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide (PubChem CID 114270030) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
PubChem CID114270030
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
SMILESNc1cccc(NC(=O)CC2CCCCC2)c1Cl
InChIInChI=1S/C14H19ClN2O/c15-14-11(16)7-4-8-12(14)17-13(18)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18)
InChIKeyGIWHRFMVGHTDPL-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
CID 114457006
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide?
The IUPAC name of N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide (CID 114270030) is N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide is Nc1cccc(NC(=O)CC2CCCCC2)c1Cl.
What is the InChIKey of N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide?
The InChIKey is GIWHRFMVGHTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-14-11(16)7-4-8-12(14)17-13(18)9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9,16H2,(H,17,18).
What are the key properties of N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide?
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide has a molecular weight of 266.77 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide is sourced from PubChem (CID 114270030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).