2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide

C17H24ClNO — CID 62407196

IUPAC2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
SMILESCCC(NC(=O)C(Cl)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24ClNO/c1-2-15(13-9-5-3-6-10-13)19-17(20)16(18)14-11-7-4-8-12-14/h4,7-8,11-13,15-16H,2-3,5-6,9-10H2,1H3,(H,19,20)
InChIKeyPLZBBJNBMJJEII-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.44
Rot. Bonds5

About 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide

2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide (PubChem CID 62407196) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
PubChem CID62407196
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide
SMILESCCC(NC(=O)C(Cl)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24ClNO/c1-2-15(13-9-5-3-6-10-13)19-17(20)16(18)14-11-7-4-8-12-14/h4,7-8,11-13,15-16H,2-3,5-6,9-10H2,1H3,(H,19,20)
InChIKeyPLZBBJNBMJJEII-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.44
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

2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
CID 107028366
2-(1-cyclohexylpropylamino)-1-phenylethanol
CID 62405750
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
2-amino-N-(1-cyclohexylpropyl)-2-thiophen-2-ylacetamide
CID 115287171
N-cycloheptyl-2-phenylbutanamide
CID 2890971
3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
CID 62406368
N-(1-cyclohexylpropyl)acetamide
CID 45119320
1-cyclohexyl-N-(2-phenylpropyl)propan-1-amine
CID 63477318
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
CID 63463548
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
ethyl (3S)-3-(benzhydrylamino)-3-cyclohexylpropanoate
CID 102531001

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide (CID 62407196) is 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide is CCC(NC(=O)C(Cl)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide?
The InChIKey is PLZBBJNBMJJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-15(13-9-5-3-6-10-13)19-17(20)16(18)14-11-7-4-8-12-14/h4,7-8,11-13,15-16H,2-3,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide?
2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide has a molecular weight of 293.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclohexylpropyl)-2-phenylacetamide is sourced from PubChem (CID 62407196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).