3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide

C17H18ClNO3 — CID 19220838

IUPAC3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-9-8-14(11-16(15)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)
InChIKeyWWBFBJZMUUNMKT-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.93
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide

3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 19220838) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID19220838
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-21-15-9-8-14(11-16(15)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20)
InChIKeyWWBFBJZMUUNMKT-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide (CID 19220838) is 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is WWBFBJZMUUNMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-9-8-14(11-16(15)22-2)19-17(20)10-5-12-3-6-13(18)7-4-12/h3-4,6-9,11H,5,10H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide?
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 19220838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).