N-(4-chlorophenyl)propanamide

C9H10ClNO — CID 17692

IUPACN-(4-chlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyFFHGCIYKPNISDY-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.69
Rot. Bonds2

About N-(4-chlorophenyl)propanamide

N-(4-chlorophenyl)propanamide (PubChem CID 17692) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)propanamide
PubChem CID17692
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-(4-chlorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyFFHGCIYKPNISDY-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)propanamide (CID 17692) is N-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)propanamide is CCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)propanamide?
The InChIKey is FFHGCIYKPNISDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of N-(4-chlorophenyl)propanamide?
N-(4-chlorophenyl)propanamide has a molecular weight of 183.64 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 17692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).