4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide

C23H22FN3O2 — CID 42695951

IUPAC4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O2/c24-19-11-9-18(10-12-19)22(28)27-21(16-17-6-2-1-3-7-17)23(29)26-15-13-20-8-4-5-14-25-20/h1-12,14,21H,13,15-16H2,(H,26,29)(H,27,28)
InChIKeyYDYLQCSKCUGNJW-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.92
Rot. Bonds8

About 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide

4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide (PubChem CID 42695951) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
PubChem CID42695951
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O2/c24-19-11-9-18(10-12-19)22(28)27-21(16-17-6-2-1-3-7-17)23(29)26-15-13-20-8-4-5-14-25-20/h1-12,14,21H,13,15-16H2,(H,26,29)(H,27,28)
InChIKeyYDYLQCSKCUGNJW-UHFFFAOYSA-N
XLogP2.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
CID 144765851
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 59402204
4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 144765894
(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-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide (CID 42695951) is 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)NCCc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
The InChIKey is YDYLQCSKCUGNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-11-9-18(10-12-19)22(28)27-21(16-17-6-2-1-3-7-17)23(29)26-15-13-20-8-4-5-14-25-20/h1-12,14,21H,13,15-16H2,(H,26,29)(H,27,28).
What are the key properties of 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide?
4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-oxo-3-phenyl-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 42695951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).