3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide

C18H17F3N2O2 — CID 113119215

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)Cc1ccccc1F
InChIInChI=1S/C18H17F3N2O2/c1-12(24)23(11-13-4-2-3-5-15(13)20)9-8-18(25)22-17-7-6-14(19)10-16(17)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyXTGCQNANYQTNEA-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.48
Rot. Bonds6

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113119215) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113119215
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)Cc1ccccc1F
InChIInChI=1S/C18H17F3N2O2/c1-12(24)23(11-13-4-2-3-5-15(13)20)9-8-18(25)22-17-7-6-14(19)10-16(17)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyXTGCQNANYQTNEA-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113121318
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113161524
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide (CID 113119215) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)Cc1ccccc1F.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is XTGCQNANYQTNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12(24)23(11-13-4-2-3-5-15(13)20)9-8-18(25)22-17-7-6-14(19)10-16(17)21/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 350.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113119215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).