N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide

C16H16FNO2 — CID 56704912

IUPACN-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
SMILESCCNC(=O)c1ccccc1-c1ccc(F)c(CO)c1
InChIInChI=1S/C16H16FNO2/c1-2-18-16(20)14-6-4-3-5-13(14)11-7-8-15(17)12(9-11)10-19/h3-9,19H,2,10H2,1H3,(H,18,20)
InChIKeyADPISZWGUBWNIX-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.73
Rot. Bonds4

About N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide

N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide (PubChem CID 56704912) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
PubChem CID56704912
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide
SMILESCCNC(=O)c1ccccc1-c1ccc(F)c(CO)c1
InChIInChI=1S/C16H16FNO2/c1-2-18-16(20)14-6-4-3-5-13(14)11-7-8-15(17)12(9-11)10-19/h3-9,19H,2,10H2,1H3,(H,18,20)
InChIKeyADPISZWGUBWNIX-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-3-phenylbenzamide
CID 67472653
N-ethyl-2-(5-fluoroquinolin-3-yl)benzamide
CID 155510016
N-ethyl-2-(2-sulfanylphenyl)benzamide
CID 139949970
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-ethyl-2-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 74230439
3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
CID 86307324
N-butyl-2-phenylbenzamide
CID 21064565
[2-(ethylcarbamoyl)phenyl]boronic acid
CID 77231606
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 109399591
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide (CID 56704912) is N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide is CCNC(=O)c1ccccc1-c1ccc(F)c(CO)c1.
What is the InChIKey of N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
The InChIKey is ADPISZWGUBWNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-18-16(20)14-6-4-3-5-13(14)11-7-8-15(17)12(9-11)10-19/h3-9,19H,2,10H2,1H3,(H,18,20).
What are the key properties of N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide?
N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-fluoro-3-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 56704912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).