2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide

C16H22BrN3O — CID 78790067

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3O/c1-12(2)16(3,11-18)19-15(21)10-20(4)9-13-7-5-6-8-14(13)17/h5-8,12H,9-10H2,1-4H3,(H,19,21)
InChIKeyCWBFYUSRPXFEDH-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.94
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 78790067) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID78790067
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C16H22BrN3O/c1-12(2)16(3,11-18)19-15(21)10-20(4)9-13-7-5-6-8-14(13)17/h5-8,12H,9-10H2,1-4H3,(H,19,21)
InChIKeyCWBFYUSRPXFEDH-UHFFFAOYSA-N
XLogP2.94
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 78621363
N-(2-cyano-3-methylbutan-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 47109711
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[(2-nitrophenyl)methyl]amino]acetamide
CID 47028227
2-[bis(furan-2-ylmethyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 8841518
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192
methyl 4-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62011918
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2669494
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 78790067) is 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CN(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is CWBFYUSRPXFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-12(2)16(3,11-18)19-15(21)10-20(4)9-13-7-5-6-8-14(13)17/h5-8,12H,9-10H2,1-4H3,(H,19,21).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 352.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78790067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).