4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide

C13H16FNO2 — CID 115776016

IUPAC4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H16FNO2/c1-3-6-15(7-8-16)13(17)12-5-4-11(14)9-10(12)2/h3-5,9,16H,1,6-8H2,2H3
InChIKeyZSNXPLDUCWPZGU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.75
Rot. Bonds5

About 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide

4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide (PubChem CID 115776016) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
PubChem CID115776016
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H16FNO2/c1-3-6-15(7-8-16)13(17)12-5-4-11(14)9-10(12)2/h3-5,9,16H,1,6-8H2,2H3
InChIKeyZSNXPLDUCWPZGU-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
2-fluoro-N-(2-hydroxyethyl)-3-methyl-5-nitro-N-prop-2-enylbenzamide
CID 103297585
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide (CID 115776016) is 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide?
The InChIKey is ZSNXPLDUCWPZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-6-15(7-8-16)13(17)12-5-4-11(14)9-10(12)2/h3-5,9,16H,1,6-8H2,2H3.
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide?
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide has a molecular weight of 237.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 115776016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).