3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide

C24H21FN2O4 — CID 6723602

IUPAC3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H21FN2O4/c25-20-11-9-16(10-12-20)14-26-24(31)21(15-28)27-23(30)19-8-4-7-18(13-19)22(29)17-5-2-1-3-6-17/h1-13,21,28H,14-15H2,(H,26,31)(H,27,30)/t21-/m0/s1
InChIKeyXDBCYZIXRIWZST-NRFANRHFSA-N
MW420.44 g/mol
LogP2.46
Rot. Bonds8

About 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide

3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide (PubChem CID 6723602) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
PubChem CID6723602
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C24H21FN2O4/c25-20-11-9-16(10-12-20)14-26-24(31)21(15-28)27-23(30)19-8-4-7-18(13-19)22(29)17-5-2-1-3-6-17/h1-13,21,28H,14-15H2,(H,26,31)(H,27,30)/t21-/m0/s1
InChIKeyXDBCYZIXRIWZST-NRFANRHFSA-N
XLogP2.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 123995767
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CID 6724169
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9270486
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 8731678
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoylamino]propanamide
CID 4180033
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide (CID 6723602) is 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide is O=C(N[C@@H](CO)C(=O)NCc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide?
The InChIKey is XDBCYZIXRIWZST-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21FN2O4/c25-20-11-9-16(10-12-20)14-26-24(31)21(15-28)27-23(30)19-8-4-7-18(13-19)22(29)17-5-2-1-3-6-17/h1-13,21,28H,14-15H2,(H,26,31)(H,27,30)/t21-/m0/s1.
What are the key properties of 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide?
3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 6723602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).