2-fluoro-3-methyl-N-prop-2-ynylbenzamide

C11H10FNO — CID 80717864

IUPAC2-fluoro-3-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C11H10FNO/c1-3-7-13-11(14)9-6-4-5-8(2)10(9)12/h1,4-6H,7H2,2H3,(H,13,14)
InChIKeyFZVGQHFBSDWTSO-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.50
Rot. Bonds2

About 2-fluoro-3-methyl-N-prop-2-ynylbenzamide

2-fluoro-3-methyl-N-prop-2-ynylbenzamide (PubChem CID 80717864) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-prop-2-ynylbenzamide
PubChem CID80717864
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-fluoro-3-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cccc(C)c1F
InChIInChI=1S/C11H10FNO/c1-3-7-13-11(14)9-6-4-5-8(2)10(9)12/h1,4-6H,7H2,2H3,(H,13,14)
InChIKeyFZVGQHFBSDWTSO-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103765513
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377
2-iodo-N-prop-2-ynylbenzamide
CID 18110013

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-prop-2-ynylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-prop-2-ynylbenzamide (CID 80717864) is 2-fluoro-3-methyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-prop-2-ynylbenzamide?
The InChIKey is FZVGQHFBSDWTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-3-7-13-11(14)9-6-4-5-8(2)10(9)12/h1,4-6H,7H2,2H3,(H,13,14).
What are the key properties of 2-fluoro-3-methyl-N-prop-2-ynylbenzamide?
2-fluoro-3-methyl-N-prop-2-ynylbenzamide has a molecular weight of 191.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 80717864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).