2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide

C19H22FNO2 — CID 113090470

IUPAC2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-19(2,15-7-9-17(23-3)10-8-15)13-21-18(22)12-14-5-4-6-16(20)11-14/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyKTPIHVJURWVTQD-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.47
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide

2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 113090470) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID113090470
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(C)(C)CNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2/c1-19(2,15-7-9-17(23-3)10-8-15)13-21-18(22)12-14-5-4-6-16(20)11-14/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyKTPIHVJURWVTQD-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 86971523
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
2-(3-fluorophenyl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 112987540
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 115139502
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
1-(2,4-difluorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213675
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 113090462
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112996017
N-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide;hydroiodide
CID 111092007
4-[[2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002331

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 113090470) is 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide is COc1ccc(C(C)(C)CNC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is KTPIHVJURWVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-19(2,15-7-9-17(23-3)10-8-15)13-21-18(22)12-14-5-4-6-16(20)11-14/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 113090470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).