N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide

C19H23FN2O2 — CID 10019539

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide
SMILESO=C(NCc1ccc(F)cc1)C(CCO)NCCc1ccccc1
InChIInChI=1S/C19H23FN2O2/c20-17-8-6-16(7-9-17)14-22-19(24)18(11-13-23)21-12-10-15-4-2-1-3-5-15/h1-9,18,21,23H,10-14H2,(H,22,24)
InChIKeyUNSAODNNFWLTCM-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.03
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide (PubChem CID 10019539) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide
PubChem CID10019539
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide
SMILESO=C(NCc1ccc(F)cc1)C(CCO)NCCc1ccccc1
InChIInChI=1S/C19H23FN2O2/c20-17-8-6-16(7-9-17)14-22-19(24)18(11-13-23)21-12-10-15-4-2-1-3-5-15/h1-9,18,21,23H,10-14H2,(H,22,24)
InChIKeyUNSAODNNFWLTCM-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
CID 123995767
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
(2R)-3-hydroxy-2-(2-phenylethylamino)propanoic acid
CID 70101907
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide (CID 10019539) is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide is O=C(NCc1ccc(F)cc1)C(CCO)NCCc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide?
The InChIKey is UNSAODNNFWLTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-17-8-6-16(7-9-17)14-22-19(24)18(11-13-23)21-12-10-15-4-2-1-3-5-15/h1-9,18,21,23H,10-14H2,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide has a molecular weight of 330.40 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-(2-phenylethylamino)butanamide is sourced from PubChem (CID 10019539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).