4-ethenyl-3-fluoro-N-propan-2-ylbenzamide

C12H14FNO — CID 154814881

IUPAC4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
SMILESC=Cc1ccc(C(=O)NC(C)C)cc1F
InChIInChI=1S/C12H14FNO/c1-4-9-5-6-10(7-11(9)13)12(15)14-8(2)3/h4-8H,1H2,2-3H3,(H,14,15)
InChIKeyJTJNWKBPNDMKJI-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.61
Rot. Bonds3

About 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide

4-ethenyl-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 154814881) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
PubChem CID154814881
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
SMILESC=Cc1ccc(C(=O)NC(C)C)cc1F
InChIInChI=1S/C12H14FNO/c1-4-9-5-6-10(7-11(9)13)12(15)14-8(2)3/h4-8H,1H2,2-3H3,(H,14,15)
InChIKeyJTJNWKBPNDMKJI-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-3-fluorobenzamide
CID 154814877
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
2,3-dichloro-N-propan-2-ylquinoxaline-6-carboxamide
CID 15158271
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
4-chloro-N-propan-2-ylbenzamide
CID 24045
3-fluoro-4-piperidin-4-yl-N-propan-2-ylbenzamide
CID 169452672
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
tert-butyl 4-(4-ethenyl-3-fluorophenyl)benzoate
CID 178183636
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
3-chloro-N-propan-2-ylbenzamide
CID 669184

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide (CID 154814881) is 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide is C=Cc1ccc(C(=O)NC(C)C)cc1F.
What is the InChIKey of 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is JTJNWKBPNDMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-4-9-5-6-10(7-11(9)13)12(15)14-8(2)3/h4-8H,1H2,2-3H3,(H,14,15).
What are the key properties of 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide?
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 207.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 154814881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).