N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide

C20H23FN2O3 — CID 123995767

IUPACN-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
SMILESO=C(NC(CCCCO)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c21-17-11-9-15(10-12-17)14-22-20(26)18(8-4-5-13-24)23-19(25)16-6-2-1-3-7-16/h1-3,6-7,9-12,18,24H,4-5,8,13-14H2,(H,22,26)(H,23,25)
InChIKeyBZPVFYKXHOTTDK-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.40
Rot. Bonds9

About N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide

N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide (PubChem CID 123995767) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
PubChem CID123995767
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
SMILESO=C(NC(CCCCO)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c21-17-11-9-15(10-12-17)14-22-20(26)18(8-4-5-13-24)23-19(25)16-6-2-1-3-7-16/h1-3,6-7,9-12,18,24H,4-5,8,13-14H2,(H,22,26)(H,23,25)
InChIKeyBZPVFYKXHOTTDK-UHFFFAOYSA-N
XLogP2.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9270486
3-benzoyl-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723602
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
CID 118411664
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide
CID 10019539
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(2S)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 2650026
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 N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide (CID 123995767) is N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide is O=C(NC(CCCCO)C(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide?
The InChIKey is BZPVFYKXHOTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-17-11-9-15(10-12-17)14-22-20(26)18(8-4-5-13-24)23-19(25)16-6-2-1-3-7-16/h1-3,6-7,9-12,18,24H,4-5,8,13-14H2,(H,22,26)(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide?
N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide is sourced from PubChem (CID 123995767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).