N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide

C19H20F2N2O4 — CID 51132483

IUPACN-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(F)c(F)cc2NC(C)=O)cc(OC)c1
InChIInChI=1S/C19H20F2N2O4/c1-11(24)22-17-9-15(20)16(21)10-18(17)23-19(25)5-4-12-6-13(26-2)8-14(7-12)27-3/h6-10H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDFTHOVKDCQLVTG-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.51
Rot. Bonds7

About N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide

N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide (PubChem CID 51132483) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
PubChem CID51132483
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(F)c(F)cc2NC(C)=O)cc(OC)c1
InChIInChI=1S/C19H20F2N2O4/c1-11(24)22-17-9-15(20)16(21)10-18(17)23-19(25)5-4-12-6-13(26-2)8-14(7-12)27-3/h6-10H,4-5H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDFTHOVKDCQLVTG-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 134044495
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
CID 120568459
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 26707982
N-(2-acetamido-4,5-difluorophenyl)-4-(methylamino)butanamide;hydrochloride
CID 119757467
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
3-(3,5-dimethoxyphenyl)-N-(8-methylquinolin-5-yl)propanamide
CID 38267727
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide (CID 51132483) is N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cc(F)c(F)cc2NC(C)=O)cc(OC)c1.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is DFTHOVKDCQLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-11(24)22-17-9-15(20)16(21)10-18(17)23-19(25)5-4-12-6-13(26-2)8-14(7-12)27-3/h6-10H,4-5H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide?
N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 378.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 51132483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).