N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide

C14H16FNO3 — CID 54880306

IUPACN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCN(CCO)C(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C14H16FNO3/c1-2-16(7-9-18)14(19)12-10-11(4-3-8-17)5-6-13(12)15/h5-6,10,17-18H,2,7-9H2,1H3
InChIKeyNOYUNMWZZDBBCA-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.62
Rot. Bonds4

About N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide

N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 54880306) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID54880306
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCN(CCO)C(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C14H16FNO3/c1-2-16(7-9-18)14(19)12-10-11(4-3-8-17)5-6-13(12)15/h5-6,10,17-18H,2,7-9H2,1H3
InChIKeyNOYUNMWZZDBBCA-UHFFFAOYSA-N
XLogP0.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
CID 60816909
N-ethyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65310712
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzamide
CID 54921810
N-butan-2-yl-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921765
N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60821001
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79376979
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79845719
N-butyl-N-ethyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817532
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
3-[3-[ethyl(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]prop-2-enoic acid
CID 76907110
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64517937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide (CID 54880306) is N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide is CCN(CCO)C(=O)c1cc(C#CCO)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is NOYUNMWZZDBBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-16(7-9-18)14(19)12-10-11(4-3-8-17)5-6-13(12)15/h5-6,10,17-18H,2,7-9H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide?
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 265.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 54880306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).