N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide

C18H18BrF3N2O2 — CID 55481998

IUPACN-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18BrF3N2O2/c1-24(11-12-2-5-14(6-3-12)26-18(21)22)9-8-17(25)23-16-7-4-13(19)10-15(16)20/h2-7,10,18H,8-9,11H2,1H3,(H,23,25)
InChIKeyMOPWIIGPYLZILM-UHFFFAOYSA-N
MW431.25 g/mol
LogP4.65
Rot. Bonds8

About N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide

N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide (PubChem CID 55481998) has the molecular formula C18H18BrF3N2O2 and a molecular weight of 431.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
PubChem CID55481998
Molecular FormulaC18H18BrF3N2O2
Molecular Weight431.25 g/mol
Exact Mass430.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18BrF3N2O2/c1-24(11-12-2-5-14(6-3-12)26-18(21)22)9-8-17(25)23-16-7-4-13(19)10-15(16)20/h2-7,10,18H,8-9,11H2,1H3,(H,23,25)
InChIKeyMOPWIIGPYLZILM-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664532
N-(4-bromo-2-fluorophenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488616
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 9023972
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide (CID 55481998) is N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide is CN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
The InChIKey is MOPWIIGPYLZILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N2O2/c1-24(11-12-2-5-14(6-3-12)26-18(21)22)9-8-17(25)23-16-7-4-13(19)10-15(16)20/h2-7,10,18H,8-9,11H2,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide has a molecular weight of 431.25 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide is sourced from PubChem (CID 55481998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).