N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide

C17H15BrFN3O — CID 24681265

IUPACN-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1cc(C#N)ccc1F
InChIInChI=1S/C17H15BrFN3O/c1-22(10-13-8-12(9-20)6-7-15(13)19)11-17(23)21-16-5-3-2-4-14(16)18/h2-8H,10-11H2,1H3,(H,21,23)
InChIKeyIEVAITZTSOFSTI-UHFFFAOYSA-N
MW376.23 g/mol
LogP3.53
Rot. Bonds5

About N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide

N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 24681265) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
PubChem CID24681265
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC NameN-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Br)Cc1cc(C#N)ccc1F
InChIInChI=1S/C17H15BrFN3O/c1-22(10-13-8-12(9-20)6-7-15(13)19)11-17(23)21-16-5-3-2-4-14(16)18/h2-8H,10-11H2,1H3,(H,21,23)
InChIKeyIEVAITZTSOFSTI-UHFFFAOYSA-N
XLogP3.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide
CID 33083968
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17422315
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
N-(2-bromophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide
CID 120847738
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide (CID 24681265) is N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Br)Cc1cc(C#N)ccc1F.
What is the InChIKey of N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is IEVAITZTSOFSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c1-22(10-13-8-12(9-20)6-7-15(13)19)11-17(23)21-16-5-3-2-4-14(16)18/h2-8H,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide?
N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 376.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 24681265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).