N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide

C13H13F4NO — CID 80711534

IUPACN-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
SMILESC=CCN(CC)C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H13F4NO/c1-3-7-18(4-2)12(19)10-8-9(13(15,16)17)5-6-11(10)14/h3,5-6,8H,1,4,7H2,2H3
InChIKeyRQWFZFCDXPGEMB-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.49
Rot. Bonds4

About N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide

N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide (PubChem CID 80711534) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
PubChem CID80711534
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC NameN-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
SMILESC=CCN(CC)C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H13F4NO/c1-3-7-18(4-2)12(19)10-8-9(13(15,16)17)5-6-11(10)14/h3,5-6,8H,1,4,7H2,2H3
InChIKeyRQWFZFCDXPGEMB-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 115771373
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
CID 84559876
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 103339064
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
CID 107033485
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 107490909
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 18795518
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
N-ethyl-2,6-difluoro-3-nitro-N-prop-2-enylbenzamide
CID 103740637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide (CID 80711534) is N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide is C=CCN(CC)C(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
The InChIKey is RQWFZFCDXPGEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-3-7-18(4-2)12(19)10-8-9(13(15,16)17)5-6-11(10)14/h3,5-6,8H,1,4,7H2,2H3.
What are the key properties of N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide?
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 80711534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).