N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide

C19H20FNO2 — CID 97099967

IUPACN-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide
SMILESCCNC(=O)c1ccc(O[C@@H]2CCCc3ccc(F)cc32)cc1
InChIInChI=1S/C19H20FNO2/c1-2-21-19(22)14-7-10-16(11-8-14)23-18-5-3-4-13-6-9-15(20)12-17(13)18/h6-12,18H,2-5H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyBJGLWAWFWDNSSO-GOSISDBHSA-N
MW313.37 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide

N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide (PubChem CID 97099967) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide
PubChem CID97099967
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC NameN-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide
SMILESCCNC(=O)c1ccc(O[C@@H]2CCCc3ccc(F)cc32)cc1
InChIInChI=1S/C19H20FNO2/c1-2-21-19(22)14-7-10-16(11-8-14)23-18-5-3-4-13-6-9-15(20)12-17(13)18/h6-12,18H,2-5H2,1H3,(H,21,22)/t18-/m1/s1
InChIKeyBJGLWAWFWDNSSO-GOSISDBHSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carboxamide
CID 133446444
1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone
CID 75392153
4-ethoxy-N-[2-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]benzamide
CID 26958948
2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
CID 82080013
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
N-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 97062336
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
N-[2-(4-cyclopentyloxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 38455253
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
CID 59335547

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide?
The IUPAC name of N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide (CID 97099967) is N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide.
What is the SMILES notation for N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide?
The canonical SMILES for N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide is CCNC(=O)c1ccc(O[C@@H]2CCCc3ccc(F)cc32)cc1.
What is the InChIKey of N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide?
The InChIKey is BJGLWAWFWDNSSO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-21-19(22)14-7-10-16(11-8-14)23-18-5-3-4-13-6-9-15(20)12-17(13)18/h6-12,18H,2-5H2,1H3,(H,21,22)/t18-/m1/s1.
What are the key properties of N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide?
N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide has a molecular weight of 313.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide is sourced from PubChem (CID 97099967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).