N-(2-bromoprop-2-enyl)-2-fluorobenzamide

C10H9BrFNO — CID 115594605

IUPACN-(2-bromoprop-2-enyl)-2-fluorobenzamide
SMILESC=C(Br)CNC(=O)c1ccccc1F
InChIInChI=1S/C10H9BrFNO/c1-7(11)6-13-10(14)8-4-2-3-5-9(8)12/h2-5H,1,6H2,(H,13,14)
InChIKeyOMGHWPNMPPFTPF-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.46
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2-fluorobenzamide

N-(2-bromoprop-2-enyl)-2-fluorobenzamide (PubChem CID 115594605) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-fluorobenzamide
PubChem CID115594605
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC NameN-(2-bromoprop-2-enyl)-2-fluorobenzamide
SMILESC=C(Br)CNC(=O)c1ccccc1F
InChIInChI=1S/C10H9BrFNO/c1-7(11)6-13-10(14)8-4-2-3-5-9(8)12/h2-5H,1,6H2,(H,13,14)
InChIKeyOMGHWPNMPPFTPF-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide
CID 115646427
N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
CID 115594443
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
N-(2-bromoprop-2-enyl)-5-fluoro-2-hydroxybenzamide
CID 115681931
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-fluorobenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-fluorobenzamide (CID 115594605) is N-(2-bromoprop-2-enyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-fluorobenzamide is C=C(Br)CNC(=O)c1ccccc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-fluorobenzamide?
The InChIKey is OMGHWPNMPPFTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-7(11)6-13-10(14)8-4-2-3-5-9(8)12/h2-5H,1,6H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-2-fluorobenzamide?
N-(2-bromoprop-2-enyl)-2-fluorobenzamide has a molecular weight of 258.09 g/mol, XLogP of 2.46, 3 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-fluorobenzamide is sourced from PubChem (CID 115594605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).