N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide

C14H19ClN2O — CID 62318890

IUPACN-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
SMILESNC1CCC(NC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C14H19ClN2O/c15-13(10-4-2-1-3-5-10)14(18)17-12-8-6-11(16)7-9-12/h1-5,11-13H,6-9,16H2,(H,17,18)
InChIKeyROEFWBRAHDTNKI-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.35
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide

N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide (PubChem CID 62318890) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
PubChem CID62318890
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
SMILESNC1CCC(NC(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C14H19ClN2O/c15-13(10-4-2-1-3-5-10)14(18)17-12-8-6-11(16)7-9-12/h1-5,11-13H,6-9,16H2,(H,17,18)
InChIKeyROEFWBRAHDTNKI-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide (CID 62318890) is N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide is NC1CCC(NC(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide?
The InChIKey is ROEFWBRAHDTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13(10-4-2-1-3-5-10)14(18)17-12-8-6-11(16)7-9-12/h1-5,11-13H,6-9,16H2,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide?
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide is sourced from PubChem (CID 62318890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).