2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide

C19H21FN2O4 — CID 26076449

IUPAC2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-13(26-15-9-7-14(20)8-10-15)18(23)22-17-6-4-3-5-16(17)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyXNVVNFBFHSIQKI-CYBMUJFWSA-N
MW360.39 g/mol
LogP2.61
Rot. Bonds8

About 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide

2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 26076449) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID26076449
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C19H21FN2O4/c1-13(26-15-9-7-14(20)8-10-15)18(23)22-17-6-4-3-5-16(17)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyXNVVNFBFHSIQKI-CYBMUJFWSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide (CID 26076449) is 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is XNVVNFBFHSIQKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(26-15-9-7-14(20)8-10-15)18(23)22-17-6-4-3-5-16(17)19(24)21-11-12-25-2/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 26076449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).