N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide

C16H24ClNO — CID 140616425

IUPACN-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cc(CC)c(CC)c(Cl)c1C
InChIInChI=1S/C16H24ClNO/c1-5-8-9-15(19)18-14-10-12(6-2)13(7-3)16(17)11(14)4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyJPXFPHJKGYUFOG-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.90
Rot. Bonds6

About N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide

N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide (PubChem CID 140616425) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide
PubChem CID140616425
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide
SMILESCCCCC(=O)Nc1cc(CC)c(CC)c(Cl)c1C
InChIInChI=1S/C16H24ClNO/c1-5-8-9-15(19)18-14-10-12(6-2)13(7-3)16(17)11(14)4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyJPXFPHJKGYUFOG-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
CID 43246587
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2-methyl-3-sulfanylphenyl)pentanamide
CID 4713033
3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 43103561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide?
The IUPAC name of N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide (CID 140616425) is N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide.
What is the SMILES notation for N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide?
The canonical SMILES for N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide is CCCCC(=O)Nc1cc(CC)c(CC)c(Cl)c1C.
What is the InChIKey of N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide?
The InChIKey is JPXFPHJKGYUFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-8-9-15(19)18-14-10-12(6-2)13(7-3)16(17)11(14)4/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide?
N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide has a molecular weight of 281.83 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide is sourced from PubChem (CID 140616425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).