4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide

C23H21FN2O4 — CID 8884358

IUPAC4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H21FN2O4/c1-15(30-21-11-5-17(24)6-12-21)22(27)25-18-7-3-16(4-8-18)23(28)26-19-9-13-20(29-2)14-10-19/h3-15H,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyLDWUWGVMZKWRAP-HNNXBMFYSA-N
MW408.43 g/mol
LogP4.49
Rot. Bonds7

About 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide

4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 8884358) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID8884358
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H21FN2O4/c1-15(30-21-11-5-17(24)6-12-21)22(27)25-18-7-3-16(4-8-18)23(28)26-19-9-13-20(29-2)14-10-19/h3-15H,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyLDWUWGVMZKWRAP-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-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(2-methoxyphenyl)benzamide
CID 1179494
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
(2S)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652621
(2R)-N-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652623
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide (CID 8884358) is 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is LDWUWGVMZKWRAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-15(30-21-11-5-17(24)6-12-21)22(27)25-18-7-3-16(4-8-18)23(28)26-19-9-13-20(29-2)14-10-19/h3-15H,1-2H3,(H,25,27)(H,26,28)/t15-/m0/s1.
What are the key properties of 4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide?
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-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)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 8884358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).