3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide

C16H22ClNO — CID 14208386

IUPAC3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
SMILESO=C(CCCl)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22ClNO/c17-12-11-15(19)18-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,18,19)
InChIKeyZKRDIXBJZAMYKZ-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.05
Rot. Bonds5

About 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide

3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide (PubChem CID 14208386) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
PubChem CID14208386
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
SMILESO=C(CCCl)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22ClNO/c17-12-11-15(19)18-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,18,19)
InChIKeyZKRDIXBJZAMYKZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.05
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-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide
CID 14208412
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
CID 39594752
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
N-[4-[[(R)-cyclohexyl(phenyl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39594557
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084
7-amino-N-[cyclopropyl(phenyl)methyl]heptanamide;hydrochloride
CID 119698485

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide (CID 14208386) is 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide is O=C(CCCl)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide?
The InChIKey is ZKRDIXBJZAMYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-12-11-15(19)18-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,18,19).
What are the key properties of 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide?
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide has a molecular weight of 279.81 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide is sourced from PubChem (CID 14208386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).