N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide

C12H11BrN2O — CID 121012223

IUPACN-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
SMILESC=C(Br)CN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C12H11BrN2O/c1-9(13)8-15(10(2)16)12-5-3-4-11(6-12)7-14/h3-6H,1,8H2,2H3
InChIKeyQQKFQMGQGWUYSN-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.82
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide

N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide (PubChem CID 121012223) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
PubChem CID121012223
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC NameN-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
SMILESC=C(Br)CN(C(C)=O)c1cccc(C#N)c1
InChIInChI=1S/C12H11BrN2O/c1-9(13)8-15(10(2)16)12-5-3-4-11(6-12)7-14/h3-6H,1,8H2,2H3
InChIKeyQQKFQMGQGWUYSN-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-N-(3-methylphenyl)acetamide
CID 121009695
2-(N-acetyl-3-cyanoanilino)-N-ethyl-N-phenylacetamide
CID 113180925
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113180842
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
tris(N-(3-cyanophenyl)-N-hydroxyacetamide);hydrate
CID 71328508
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113180909

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide (CID 121012223) is N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide is C=C(Br)CN(C(C)=O)c1cccc(C#N)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide?
The InChIKey is QQKFQMGQGWUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-9(13)8-15(10(2)16)12-5-3-4-11(6-12)7-14/h3-6H,1,8H2,2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide?
N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide has a molecular weight of 279.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 121012223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).