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

C19H19Cl2FN2O2 — CID 133212988

IUPAC2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
SMILESCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN2O2/c1-12(19(26)23-10-15-5-6-16(20)9-18(15)21)24(13(2)25)11-14-3-7-17(22)8-4-14/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyBMYPNNDIHKJAKI-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.19
Rot. Bonds6

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

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide (PubChem CID 133212988) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
PubChem CID133212988
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
SMILESCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2FN2O2/c1-12(19(26)23-10-15-5-6-16(20)9-18(15)21)24(13(2)25)11-14-3-7-17(22)8-4-14/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyBMYPNNDIHKJAKI-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132663904
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132667697
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 133149261
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
CID 133238116
N-[(2,4-dichlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133215179
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213144
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213138
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide?
The IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide (CID 133212988) is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide?
The canonical SMILES for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide is CC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide?
The InChIKey is BMYPNNDIHKJAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c1-12(19(26)23-10-15-5-6-16(20)9-18(15)21)24(13(2)25)11-14-3-7-17(22)8-4-14/h3-9,12H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide?
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide has a molecular weight of 397.28 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide is sourced from PubChem (CID 133212988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).