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

C16H16ClNO2 — CID 903519

IUPACN-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-15-8-5-12(6-9-15)7-10-16(19)18-14-4-2-3-13(17)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyAUTYLIQVOFZJIL-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.92
Rot. Bonds5

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

N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 903519) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID903519
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-15-8-5-12(6-9-15)7-10-16(19)18-14-4-2-3-13(17)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyAUTYLIQVOFZJIL-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide (CID 903519) is N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is AUTYLIQVOFZJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-15-8-5-12(6-9-15)7-10-16(19)18-14-4-2-3-13(17)11-14/h2-6,8-9,11H,7,10H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 289.76 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 903519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).