N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide

C15H21FN2O2 — CID 108946249

IUPACN'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-11(2)7-8-17-14(19)9-15(20)18-10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLOHMIRVZQWWTOF-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.99
Rot. Bonds7

About N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide

N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide (PubChem CID 108946249) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
PubChem CID108946249
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCc1ccccc1F
InChIInChI=1S/C15H21FN2O2/c1-11(2)7-8-17-14(19)9-15(20)18-10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLOHMIRVZQWWTOF-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
CID 5177297
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113122832
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070474
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide (CID 108946249) is N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide is CC(C)CCNC(=O)CC(=O)NCc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide?
The InChIKey is LOHMIRVZQWWTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-11(2)7-8-17-14(19)9-15(20)18-10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide?
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide has a molecular weight of 280.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108946249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).