N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

C21H23F2NO3 — CID 86925767

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H23F2NO3/c1-14(19-12-16(22)7-10-20(19)23)24(2)21(25)15-5-8-17(9-6-15)27-13-18-4-3-11-26-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3
InChIKeyMLPWILJJADNNJT-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.36
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 86925767) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID86925767
Molecular FormulaC21H23F2NO3
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C21H23F2NO3/c1-14(19-12-16(22)7-10-20(19)23)24(2)21(25)15-5-8-17(9-6-15)27-13-18-4-3-11-26-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3
InChIKeyMLPWILJJADNNJT-UHFFFAOYSA-N
XLogP4.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7444968
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 34962763
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
CID 112794067
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 134026942
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 9417466
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8562360
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (CID 86925767) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is MLPWILJJADNNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-14(19-12-16(22)7-10-20(19)23)24(2)21(25)15-5-8-17(9-6-15)27-13-18-4-3-11-26-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 375.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 86925767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).