N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide

C11H10BrF2NO — CID 115686682

IUPACN-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
SMILESC=C(Br)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C11H10BrF2NO/c1-7(12)6-15-10(16)5-8-3-2-4-9(13)11(8)14/h2-4H,1,5-6H2,(H,15,16)
InChIKeyCWKIDSWOEMSDQB-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.53
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide

N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 115686682) has the molecular formula C11H10BrF2NO and a molecular weight of 290.11 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
PubChem CID115686682
Molecular FormulaC11H10BrF2NO
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC NameN-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
SMILESC=C(Br)CNC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C11H10BrF2NO/c1-7(12)6-15-10(16)5-8-3-2-4-9(13)11(8)14/h2-4H,1,5-6H2,(H,15,16)
InChIKeyCWKIDSWOEMSDQB-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2,3-difluorophenyl)methyl]prop-2-en-1-amine
CID 115618237
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
2-(2,3-difluorophenyl)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115687726
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
N-[[3-(bromomethyl)phenyl]methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313198
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
N-[(E)-4-aminobut-2-enyl]-2-(2,3-difluorophenyl)acetamide
CID 113414811
2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide (CID 115686682) is N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide is C=C(Br)CNC(=O)Cc1cccc(F)c1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is CWKIDSWOEMSDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO/c1-7(12)6-15-10(16)5-8-3-2-4-9(13)11(8)14/h2-4H,1,5-6H2,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide?
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 290.11 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 115686682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).