N-(4-chloro-2-methylphenyl)propanamide

C10H12ClNO — CID 4176527

IUPACN-(4-chloro-2-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyJKHFHJSPWJVHJT-UHFFFAOYSA-N
MW197.66 g/mol
LogP3.00
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)propanamide

N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 4176527) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)propanamide
PubChem CID4176527
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-(4-chloro-2-methylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyJKHFHJSPWJVHJT-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)propanamide (CID 4176527) is N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)propanamide is CCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is JKHFHJSPWJVHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-10(13)12-9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(4-chloro-2-methylphenyl)propanamide?
N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 197.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 4176527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).