N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide

C11H8ClF4NO — CID 115681898

IUPACN-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESC=C(Cl)CNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H8ClF4NO/c1-6(12)5-17-10(18)7-3-2-4-8(9(7)13)11(14,15)16/h2-4H,1,5H2,(H,17,18)
InChIKeyMVGVFJZGEWOQFW-UHFFFAOYSA-N
MW281.64 g/mol
LogP3.33
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 115681898) has the molecular formula C11H8ClF4NO and a molecular weight of 281.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID115681898
Molecular FormulaC11H8ClF4NO
Molecular Weight281.64 g/mol
Exact Mass281.02
IUPAC NameN-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESC=C(Cl)CNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H8ClF4NO/c1-6(12)5-17-10(18)7-3-2-4-8(9(7)13)11(14,15)16/h2-4H,1,5H2,(H,17,18)
InChIKeyMVGVFJZGEWOQFW-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.64
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
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N-(4-bromo-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
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2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
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N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
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4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 115681898) is N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide is C=C(Cl)CNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is MVGVFJZGEWOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO/c1-6(12)5-17-10(18)7-3-2-4-8(9(7)13)11(14,15)16/h2-4H,1,5H2,(H,17,18).
What are the key properties of N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 281.64 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115681898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).