3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide

C17H17F2NO2 — CID 39089240

IUPAC3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2NO2/c1-22-14-6-2-13(3-7-14)11-20-17(21)9-5-12-4-8-15(18)16(19)10-12/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,21)
InChIKeyICJSXIMLYUHNAJ-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.22
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide

3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 39089240) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID39089240
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2NO2/c1-22-14-6-2-13(3-7-14)11-20-17(21)9-5-12-4-8-15(18)16(19)10-12/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,21)
InChIKeyICJSXIMLYUHNAJ-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35619171
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 39089240) is 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is ICJSXIMLYUHNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-22-14-6-2-13(3-7-14)11-20-17(21)9-5-12-4-8-15(18)16(19)10-12/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,21).
What are the key properties of 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 305.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 39089240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).