2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide

C16H13BrN2O — CID 60616456

IUPAC2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Br)c1)c1cccc(C#N)c1
InChIInChI=1S/C16H13BrN2O/c1-19(15-7-3-5-13(9-15)11-18)16(20)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3
InChIKeyDNFHOEBJKJUZND-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.53
Rot. Bonds3

About 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide

2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide (PubChem CID 60616456) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
PubChem CID60616456
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Br)c1)c1cccc(C#N)c1
InChIInChI=1S/C16H13BrN2O/c1-19(15-7-3-5-13(9-15)11-18)16(20)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3
InChIKeyDNFHOEBJKJUZND-UHFFFAOYSA-N
XLogP3.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735949
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115268555
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide (CID 60616456) is 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide is CN(C(=O)Cc1cccc(Br)c1)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide?
The InChIKey is DNFHOEBJKJUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-19(15-7-3-5-13(9-15)11-18)16(20)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide?
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide has a molecular weight of 329.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide is sourced from PubChem (CID 60616456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).