N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide

C17H18ClNO3 — CID 26688109

IUPACN-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C17H18ClNO3/c1-21-15-9-12(10-16(11-15)22-2)3-8-17(20)19-14-6-4-13(18)5-7-14/h4-7,9-11H,3,8H2,1-2H3,(H,19,20)
InChIKeyQVOGQDSJQWJMLS-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.93
Rot. Bonds6

About N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide

N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 26688109) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID26688109
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C17H18ClNO3/c1-21-15-9-12(10-16(11-15)22-2)3-8-17(20)19-14-6-4-13(18)5-7-14/h4-7,9-11H,3,8H2,1-2H3,(H,19,20)
InChIKeyQVOGQDSJQWJMLS-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

3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 35344493
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 42014719
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
ethyl (E)-3-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]prop-2-enoate
CID 24530008
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide (CID 26688109) is N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is QVOGQDSJQWJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-15-9-12(10-16(11-15)22-2)3-8-17(20)19-14-6-4-13(18)5-7-14/h4-7,9-11H,3,8H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
N-(4-chlorophenyl)-3-(3,5-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 N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 26688109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).