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

C14H16FNO — CID 80717799

IUPAC2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1cccc(C)c1F
InChIInChI=1S/C14H16FNO/c1-4-9-16(10-5-2)14(17)12-8-6-7-11(3)13(12)15/h1,6-8H,5,9-10H2,2-3H3
InChIKeyKJDGFKKXRSEFQH-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.62
Rot. Bonds4

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

2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide (PubChem CID 80717799) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
PubChem CID80717799
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1cccc(C)c1F
InChIInChI=1S/C14H16FNO/c1-4-9-16(10-5-2)14(17)12-8-6-7-11(3)13(12)15/h1,6-8H,5,9-10H2,2-3H3
InChIKeyKJDGFKKXRSEFQH-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
2,3-dichloro-N-propyl-N-prop-2-ynylbenzamide
CID 78971088
2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112696480
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-propyl-N-prop-2-ynylquinoxaline-5-carboxamide
CID 104577691
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
2-chloro-4-fluoro-N-propyl-N-prop-2-ynylbenzamide
CID 78970523
2-bromo-N-propyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754870

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide (CID 80717799) is 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide is C#CCN(CCC)C(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide?
The InChIKey is KJDGFKKXRSEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-4-9-16(10-5-2)14(17)12-8-6-7-11(3)13(12)15/h1,6-8H,5,9-10H2,2-3H3.
What are the key properties of 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide?
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide has a molecular weight of 233.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 80717799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).