N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide

C17H16ClF3N2O — CID 55557683

IUPACN-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF3N2O/c1-10(17(24)22-16-6-4-12(18)8-15(16)21)23(2)9-11-3-5-13(19)14(20)7-11/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyHECYRLVSNQNGKH-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.22
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide

N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide (PubChem CID 55557683) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide
PubChem CID55557683
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF3N2O/c1-10(17(24)22-16-6-4-12(18)8-15(16)21)23(2)9-11-3-5-13(19)14(20)7-11/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyHECYRLVSNQNGKH-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-nitrophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide
CID 55558194
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methylsulfonyl]propanamide
CID 126801435
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26382172
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2439515
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471
N-(2-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 51168197
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638871

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide (CID 55557683) is N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide is CC(C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide?
The InChIKey is HECYRLVSNQNGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-10(17(24)22-16-6-4-12(18)8-15(16)21)23(2)9-11-3-5-13(19)14(20)7-11/h3-8,10H,9H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide?
N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide has a molecular weight of 356.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 55557683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).