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

C19H19FN2O3 — CID 26905849

IUPACN-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H19FN2O3/c1-12(25-15-10-6-13(20)7-11-15)18(23)22-17-5-3-2-4-16(17)19(24)21-14-8-9-14/h2-7,10-12,14H,8-9H2,1H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyYKERGZOQOSRMEP-LBPRGKRZSA-N
MW342.37 g/mol
LogP3.12
Rot. Bonds6

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

N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide (PubChem CID 26905849) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
PubChem CID26905849
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H19FN2O3/c1-12(25-15-10-6-13(20)7-11-15)18(23)22-17-5-3-2-4-16(17)19(24)21-14-8-9-14/h2-7,10-12,14H,8-9H2,1H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyYKERGZOQOSRMEP-LBPRGKRZSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 30753760
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide (CID 26905849) is N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide is C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide?
The InChIKey is YKERGZOQOSRMEP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12(25-15-10-6-13(20)7-11-15)18(23)22-17-5-3-2-4-16(17)19(24)21-14-8-9-14/h2-7,10-12,14H,8-9H2,1H3,(H,21,24)(H,22,23)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide?
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide has a molecular weight of 342.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 26905849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).