N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide

C16H24ClNO — CID 106354576

IUPACN-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC(CCCl)C(C)C)cc1
InChIInChI=1S/C16H24ClNO/c1-12(2)15(10-11-17)18-16(19)9-8-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,19)
InChIKeyJFXSGYPSJBWJLI-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.70
Rot. Bonds7

About N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide

N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide (PubChem CID 106354576) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide
PubChem CID106354576
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC(CCCl)C(C)C)cc1
InChIInChI=1S/C16H24ClNO/c1-12(2)15(10-11-17)18-16(19)9-8-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,19)
InChIKeyJFXSGYPSJBWJLI-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.70
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-(1-chloro-4-methylpentan-3-yl)-2-(4-chlorophenyl)acetamide
CID 106354844
N-(1-chloro-4-methylpentan-3-yl)-2-(2,5-dimethylphenyl)acetamide
CID 106354683
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid
CID 107823303
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782223
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide (CID 106354576) is N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC(CCCl)C(C)C)cc1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is JFXSGYPSJBWJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)15(10-11-17)18-16(19)9-8-14-6-4-13(3)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide?
N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 281.83 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 106354576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).