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

C18H17ClF2N2O2 — CID 113119688

IUPAC3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF2N2O2/c1-12(24)23(11-13-2-4-14(19)5-3-13)9-8-18(25)22-17-7-6-15(20)10-16(17)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyXURFMBUCIMODEB-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.00
Rot. Bonds6

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

3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113119688) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113119688
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1F)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF2N2O2/c1-12(24)23(11-13-2-4-14(19)5-3-13)9-8-18(25)22-17-7-6-15(20)10-16(17)21/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyXURFMBUCIMODEB-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113162490
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113118886
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-(N-acetyl-2,4-difluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113133497
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113119608
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide (CID 113119688) is 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1F)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is XURFMBUCIMODEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-12(24)23(11-13-2-4-14(19)5-3-13)9-8-18(25)22-17-7-6-15(20)10-16(17)21/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide?
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 366.80 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113119688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).