2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide

C17H17FN2O4 — CID 18166101

IUPAC2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OC(C)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O4/c1-10(17(22)20-14-6-4-3-5-13(14)18)24-15-9-11(23-2)7-8-12(15)16(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyBKVJIBJKOPOVHC-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.34
Rot. Bonds6

About 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide

2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide (PubChem CID 18166101) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide.

Molecular Properties

Compound Name2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
PubChem CID18166101
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OC(C)C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C17H17FN2O4/c1-10(17(22)20-14-6-4-3-5-13(14)18)24-15-9-11(23-2)7-8-12(15)16(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyBKVJIBJKOPOVHC-UHFFFAOYSA-N
XLogP2.34
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
2-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide
CID 18097226
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8976234
(2R)-2-(2,6-dimethoxy-4-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 7695674
N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 53286451
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 2629772
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The IUPAC name of 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide (CID 18166101) is 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide.
What is the SMILES notation for 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The canonical SMILES for 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide is COc1ccc(C(N)=O)c(OC(C)C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
The InChIKey is BKVJIBJKOPOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-10(17(22)20-14-6-4-3-5-13(14)18)24-15-9-11(23-2)7-8-12(15)16(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide?
2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide has a molecular weight of 332.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxy-4-methoxybenzamide is sourced from PubChem (CID 18166101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).