N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C24H23FN2O2 — CID 7478806

IUPACN-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-24(29)22(17-19-7-3-1-4-8-19)27-23(28)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyMPAOSMMDPFCBTC-JOCHJYFZSA-N
MW390.46 g/mol
LogP3.53
Rot. Bonds8

About N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 7478806) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID7478806
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-24(29)22(17-19-7-3-1-4-8-19)27-23(28)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChIKeyMPAOSMMDPFCBTC-JOCHJYFZSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 42695951
(2R)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282482
(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282480
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4879415
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
[(2S)-2-[[(2S)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]-3-(4-fluorophenyl)propyl] acetate
CID 156695003

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 7478806) is N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is MPAOSMMDPFCBTC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-21-13-11-18(12-14-21)15-16-26-24(29)22(17-19-7-3-1-4-8-19)27-23(28)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,26,29)(H,27,28)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 7478806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).