N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide

C22H26FNO3 — CID 118771065

IUPACN-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCO1)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1
InChIInChI=1S/C22H26FNO3/c1-3-24(15-19-6-4-5-13-27-19)22(25)17-9-7-16(8-10-17)20-14-18(23)11-12-21(20)26-2/h7-12,14,19H,3-6,13,15H2,1-2H3
InChIKeyRFDVKDSVGBFSFG-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.53
Rot. Bonds6

About N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide

N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide (PubChem CID 118771065) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
PubChem CID118771065
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCO1)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1
InChIInChI=1S/C22H26FNO3/c1-3-24(15-19-6-4-5-13-27-19)22(25)17-9-7-16(8-10-17)20-14-18(23)11-12-21(20)26-2/h7-12,14,19H,3-6,13,15H2,1-2H3
InChIKeyRFDVKDSVGBFSFG-UHFFFAOYSA-N
XLogP4.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
4-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybenzoic acid
CID 167863131
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 61435608
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126427586
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 119060180
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide (CID 118771065) is N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide is CCN(CC1CCCCO1)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1.
What is the InChIKey of N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is RFDVKDSVGBFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-3-24(15-19-6-4-5-13-27-19)22(25)17-9-7-16(8-10-17)20-14-18(23)11-12-21(20)26-2/h7-12,14,19H,3-6,13,15H2,1-2H3.
What are the key properties of N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide?
N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 371.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-2-methoxyphenyl)-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 118771065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).