4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide

C23H21FN2O4 — CID 1179494

IUPAC4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O4/c1-15(22(27)25-18-11-9-17(24)10-12-18)30-19-13-7-16(8-14-19)23(28)26-20-5-3-4-6-21(20)29-2/h3-15H,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyLLEGJIJWPCXUHW-HNNXBMFYSA-N
MW408.43 g/mol
LogP4.49
Rot. Bonds7

About 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide

4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide (PubChem CID 1179494) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
PubChem CID1179494
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O4/c1-15(22(27)25-18-11-9-17(24)10-12-18)30-19-13-7-16(8-14-19)23(28)26-20-5-3-4-6-21(20)29-2/h3-15H,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyLLEGJIJWPCXUHW-HNNXBMFYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244689
4-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244698
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
4-[1-(3,5-dichloroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 4248244
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 46460746
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide (CID 1179494) is 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
The InChIKey is LLEGJIJWPCXUHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-15(22(27)25-18-11-9-17(24)10-12-18)30-19-13-7-16(8-14-19)23(28)26-20-5-3-4-6-21(20)29-2/h3-15H,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide?
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide has a molecular weight of 408.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 1179494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).