2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide

C12H14BrF2NO — CID 174953014

IUPAC2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
SMILESCCN(C(C)=O)c1ccccc1.FC(F)=CBr
InChIInChI=1S/C10H13NO.C2HBrF2/c1-3-11(9(2)12)10-7-5-4-6-8-10;3-1-2(4)5/h4-8H,3H2,1-2H3;1H
InChIKeyAMSMULPDXUCOAL-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.18
Rot. Bonds2

About 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide

2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide (PubChem CID 174953014) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
PubChem CID174953014
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide
SMILESCCN(C(C)=O)c1ccccc1.FC(F)=CBr
InChIInChI=1S/C10H13NO.C2HBrF2/c1-3-11(9(2)12)10-7-5-4-6-8-10;3-1-2(4)5/h4-8H,3H2,1-2H3;1H
InChIKeyAMSMULPDXUCOAL-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
N-(bromomethyl)-N-phenylacetamide
CID 67904201
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-hexyl-N-phenylacetamide
CID 13217997
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
CID 109036445

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide?
The IUPAC name of 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide (CID 174953014) is 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide is CCN(C(C)=O)c1ccccc1.FC(F)=CBr.
What is the InChIKey of 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide?
The InChIKey is AMSMULPDXUCOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2HBrF2/c1-3-11(9(2)12)10-7-5-4-6-8-10;3-1-2(4)5/h4-8H,3H2,1-2H3;1H.
What are the key properties of 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide?
2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide has a molecular weight of 306.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-difluoroethene;N-ethyl-N-phenylacetamide is sourced from PubChem (CID 174953014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).