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

C11H10FNO2 — CID 103527334

IUPAC4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
SMILESC#CCN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H10FNO2/c1-3-6-13(2)11(15)9-5-4-8(12)7-10(9)14/h1,4-5,7,14H,6H2,2H3
InChIKeyISDCMPGUMRIHKX-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.24
Rot. Bonds2

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

4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide (PubChem CID 103527334) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
PubChem CID103527334
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
SMILESC#CCN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H10FNO2/c1-3-6-13(2)11(15)9-5-4-8(12)7-10(9)14/h1,4-5,7,14H,6H2,2H3
InChIKeyISDCMPGUMRIHKX-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 103829871
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
N-[(3-cyanophenyl)methyl]-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829715
2-iodo-N,4-dimethyl-N-prop-2-ynylbenzamide
CID 58380400
2-chloro-N,4-dimethyl-N-prop-2-ynylbenzamide
CID 106509982
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide (CID 103527334) is 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide is C#CCN(C)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide?
The InChIKey is ISDCMPGUMRIHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-3-6-13(2)11(15)9-5-4-8(12)7-10(9)14/h1,4-5,7,14H,6H2,2H3.
What are the key properties of 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide?
4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide has a molecular weight of 207.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 103527334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).