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

C16H16BrFN2O — CID 2658798

IUPACN-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)Cc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O/c1-20(10-12-5-7-14(18)8-6-12)11-16(21)19-15-4-2-3-13(17)9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyIRGGVZLOJDLDAH-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.66
Rot. Bonds5

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

N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 2658798) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID2658798
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Br)c1)Cc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O/c1-20(10-12-5-7-14(18)8-6-12)11-16(21)19-15-4-2-3-13(17)9-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyIRGGVZLOJDLDAH-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
N-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054405
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 2658798) is N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cccc(Br)c1)Cc1ccc(F)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is IRGGVZLOJDLDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-20(10-12-5-7-14(18)8-6-12)11-16(21)19-15-4-2-3-13(17)9-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2658798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).