N-(4-chloro-3-methoxyphenyl)propanamide

C10H12ClNO2 — CID 806125

IUPACN-(4-chloro-3-methoxyphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C10H12ClNO2/c1-3-10(13)12-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGFMBJFPIIRRXPN-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.70
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)propanamide

N-(4-chloro-3-methoxyphenyl)propanamide (PubChem CID 806125) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)propanamide
PubChem CID806125
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-(4-chloro-3-methoxyphenyl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(OC)c1
InChIInChI=1S/C10H12ClNO2/c1-3-10(13)12-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyGFMBJFPIIRRXPN-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)propanamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)propanamide (CID 806125) is N-(4-chloro-3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)propanamide is CCC(=O)Nc1ccc(Cl)c(OC)c1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)propanamide?
The InChIKey is GFMBJFPIIRRXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-3-10(13)12-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(4-chloro-3-methoxyphenyl)propanamide?
N-(4-chloro-3-methoxyphenyl)propanamide has a molecular weight of 213.66 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)propanamide is sourced from PubChem (CID 806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).