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

C14H16FNO — CID 112702540

IUPAC4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H16FNO/c1-4-8-16(9-5-2)14(17)13-7-6-12(15)10-11(13)3/h1,6-7,10H,5,8-9H2,2-3H3
InChIKeyNIGFIUVARBUTQN-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.62
Rot. Bonds4

About 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide

4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide (PubChem CID 112702540) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
PubChem CID112702540
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CCC)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H16FNO/c1-4-8-16(9-5-2)14(17)13-7-6-12(15)10-11(13)3/h1,6-7,10H,5,8-9H2,2-3H3
InChIKeyNIGFIUVARBUTQN-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-chloro-4-fluoro-N-propyl-N-prop-2-ynylbenzamide
CID 78970523
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
N-ethyl-5-fluoro-2-methyl-N-prop-2-ynylbenzamide
CID 78971177
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112696480
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
2-fluoro-4-nitro-N-propyl-N-prop-2-ynylbenzamide
CID 78970643
6-fluoro-N-propyl-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 78970566
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
2-bromo-N-propyl-N-prop-2-ynylbenzamide
CID 78971034

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide?
The IUPAC name of 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide (CID 112702540) is 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide is C#CCN(CCC)C(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide?
The InChIKey is NIGFIUVARBUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-4-8-16(9-5-2)14(17)13-7-6-12(15)10-11(13)3/h1,6-7,10H,5,8-9H2,2-3H3.
What are the key properties of 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide?
4-fluoro-2-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 4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 112702540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).