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

C17H15F3N2O2 — CID 46686963

IUPACN-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F3N2O2/c1-10(23)21-12-4-6-14(19)16(9-12)22-17(24)7-3-11-2-5-13(18)15(20)8-11/h2,4-6,8-9H,3,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJVCREWMMSYXCRC-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.63
Rot. Bonds5

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

N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide (PubChem CID 46686963) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
PubChem CID46686963
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F3N2O2/c1-10(23)21-12-4-6-14(19)16(9-12)22-17(24)7-3-11-2-5-13(18)15(20)8-11/h2,4-6,8-9H,3,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyJVCREWMMSYXCRC-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 134019498
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(5-acetamido-2-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24673840

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide (CID 46686963) is N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide is CC(=O)Nc1ccc(F)c(NC(=O)CCc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide?
The InChIKey is JVCREWMMSYXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10(23)21-12-4-6-14(19)16(9-12)22-17(24)7-3-11-2-5-13(18)15(20)8-11/h2,4-6,8-9H,3,7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide?
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide has a molecular weight of 336.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 46686963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).