3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide

C18H18F2N2O2 — CID 51195190

IUPAC3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H18F2N2O2/c1-11-3-5-13(6-4-11)17(21-12(2)23)10-18(24)22-14-7-8-15(19)16(20)9-14/h3-9,17H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFPBNFOHQECISFZ-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.48
Rot. Bonds5

About 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide (PubChem CID 51195190) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
PubChem CID51195190
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H18F2N2O2/c1-11-3-5-13(6-4-11)17(21-12(2)23)10-18(24)22-14-7-8-15(19)16(20)9-14/h3-9,17H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFPBNFOHQECISFZ-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
CID 55379526
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
methyl 5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-chlorobenzoate
CID 55556906
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
2-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]phenyl]acetic acid
CID 119351562

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide (CID 51195190) is 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(F)c(F)c1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is FPBNFOHQECISFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11-3-5-13(6-4-11)17(21-12(2)23)10-18(24)22-14-7-8-15(19)16(20)9-14/h3-9,17H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 332.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51195190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).