N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide

C15H21FN2O2 — CID 166907403

IUPACN-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide
SMILESCCCNC(C)C(=O)CC(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-7-17-11(2)14(19)9-15(20)18-10-12-5-4-6-13(16)8-12/h4-6,8,11,17H,3,7,9-10H2,1-2H3,(H,18,20)
InChIKeyGTNVCKYHHYCFNP-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.79
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide

N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide (PubChem CID 166907403) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide
PubChem CID166907403
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide
SMILESCCCNC(C)C(=O)CC(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H21FN2O2/c1-3-7-17-11(2)14(19)9-15(20)18-10-12-5-4-6-13(16)8-12/h4-6,8,11,17H,3,7,9-10H2,1-2H3,(H,18,20)
InChIKeyGTNVCKYHHYCFNP-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
CID 43123289
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
1-[(3-fluorophenyl)methyl]-3-propylthiourea
CID 115579624
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
4-[(3-fluorophenyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43529770
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
CID 47031214

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide (CID 166907403) is N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide is CCCNC(C)C(=O)CC(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide?
The InChIKey is GTNVCKYHHYCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-7-17-11(2)14(19)9-15(20)18-10-12-5-4-6-13(16)8-12/h4-6,8,11,17H,3,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide?
N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide has a molecular weight of 280.34 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide is sourced from PubChem (CID 166907403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).