4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide

C23H21FN2O3 — CID 7709738

IUPAC4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-15-3-9-19(10-4-15)26-23(28)17-5-13-21(14-6-17)29-16(2)22(27)25-20-11-7-18(24)8-12-20/h3-14,16H,1-2H3,(H,25,27)(H,26,28)/t16-/m1/s1
InChIKeyROYNWJVQFQWDFY-MRXNPFEDSA-N
MW392.43 g/mol
LogP4.79
Rot. Bonds6

About 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide

4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide (PubChem CID 7709738) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
PubChem CID7709738
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-15-3-9-19(10-4-15)26-23(28)17-5-13-21(14-6-17)29-16(2)22(27)25-20-11-7-18(24)8-12-20/h3-14,16H,1-2H3,(H,25,27)(H,26,28)/t16-/m1/s1
InChIKeyROYNWJVQFQWDFY-MRXNPFEDSA-N
XLogP4.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17199498
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide (CID 7709738) is 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide?
The InChIKey is ROYNWJVQFQWDFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-15-3-9-19(10-4-15)26-23(28)17-5-13-21(14-6-17)29-16(2)22(27)25-20-11-7-18(24)8-12-20/h3-14,16H,1-2H3,(H,25,27)(H,26,28)/t16-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide?
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide has a molecular weight of 392.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 7709738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).