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

C17H16BrF3N2O — CID 24664532

IUPACN-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C17H16BrF3N2O/c1-23(10-11-2-4-13(19)9-14(11)20)7-6-17(24)22-16-5-3-12(18)8-15(16)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,24)
InChIKeyIXLFXKMTEHZRER-UHFFFAOYSA-N
MW401.23 g/mol
LogP4.33
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide (PubChem CID 24664532) has the molecular formula C17H16BrF3N2O and a molecular weight of 401.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
PubChem CID24664532
Molecular FormulaC17H16BrF3N2O
Molecular Weight401.23 g/mol
Exact Mass400.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C17H16BrF3N2O/c1-23(10-11-2-4-13(19)9-14(11)20)7-6-17(24)22-16-5-3-12(18)8-15(16)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,24)
InChIKeyIXLFXKMTEHZRER-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488616
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 134016978
N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 55481998
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
3-(N-acetyl-3-bromoanilino)-N-(2,4-difluorophenyl)propanamide
CID 113132672
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
CID 63386609
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide (CID 24664532) is N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide is CN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(F)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
The InChIKey is IXLFXKMTEHZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O/c1-23(10-11-2-4-13(19)9-14(11)20)7-6-17(24)22-16-5-3-12(18)8-15(16)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide has a molecular weight of 401.23 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24664532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).