2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide

C16H16ClNO2 — CID 155375375

IUPAC2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(C(N)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-8,10,15H,9H2,1H3,(H2,18,19)
InChIKeyIDTHMZQHGXZXKS-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.16
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide

2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 155375375) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID155375375
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CC(C(N)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-8,10,15H,9H2,1H3,(H2,18,19)
InChIKeyIDTHMZQHGXZXKS-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenyl)butanediamide
CID 94675074
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729
2-[4-[2-(3-chlorophenyl)-3-oxobutyl]phenyl]acetonitrile
CID 59846818
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
CID 61081166
2-(3-chlorophenyl)-3-[5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanoic acid
CID 59984388
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
methyl (3S)-3-(3-chlorophenyl)-3-(4-methoxyanilino)propanoate
CID 102577754
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
2-(3-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82095274
2-acetamido-2-(3-chlorophenyl)acetamide
CID 121264323

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide (CID 155375375) is 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CC(C(N)=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is IDTHMZQHGXZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-8,10,15H,9H2,1H3,(H2,18,19).
What are the key properties of 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 289.76 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 155375375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).