N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide

C17H24ClNO — CID 106366938

IUPACN-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCCCC1CCl)c1ccccc1
InChIInChI=1S/C17H24ClNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-16-11-7-6-10-14(16)12-18/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeyYLEOOUBKJKPYQX-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide

N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide (PubChem CID 106366938) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
PubChem CID106366938
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide
SMILESCCC(C(=O)NC1CCCCC1CCl)c1ccccc1
InChIInChI=1S/C17H24ClNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-16-11-7-6-10-14(16)12-18/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20)
InChIKeyYLEOOUBKJKPYQX-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide (CID 106366938) is N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide is CCC(C(=O)NC1CCCCC1CCl)c1ccccc1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide?
The InChIKey is YLEOOUBKJKPYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-2-15(13-8-4-3-5-9-13)17(20)19-16-11-7-6-10-14(16)12-18/h3-5,8-9,14-16H,2,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide?
N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide has a molecular weight of 293.84 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-phenylbutanamide is sourced from PubChem (CID 106366938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).