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

C17H17Br2FN2O — CID 24588996

IUPACN-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17Br2FN2O/c1-22(11-12-2-4-13(18)5-3-12)9-8-17(23)21-16-7-6-14(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyRMUDARLRHNBYIS-UHFFFAOYSA-N
MW444.14 g/mol
LogP4.81
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide (PubChem CID 24588996) has the molecular formula C17H17Br2FN2O and a molecular weight of 444.14 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
PubChem CID24588996
Molecular FormulaC17H17Br2FN2O
Molecular Weight444.14 g/mol
Exact Mass441.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17Br2FN2O/c1-22(11-12-2-4-13(18)5-3-12)9-8-17(23)21-16-7-6-14(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyRMUDARLRHNBYIS-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.14
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 55481998
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
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide (CID 24588996) is N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide is CN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide?
The InChIKey is RMUDARLRHNBYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2FN2O/c1-22(11-12-2-4-13(18)5-3-12)9-8-17(23)21-16-7-6-14(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide?
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide has a molecular weight of 444.14 g/mol, XLogP of 4.81, 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-[(4-bromophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24588996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).