N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide

C13H17FN2O2 — CID 68558290

IUPACN'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
SMILESCC(CCC(=O)NCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H17FN2O2/c1-9(13(15)18)2-7-12(17)16-8-10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNPAVQDWUJIQJOB-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.34
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide

N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide (PubChem CID 68558290) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
PubChem CID68558290
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
SMILESCC(CCC(=O)NCc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H17FN2O2/c1-9(13(15)18)2-7-12(17)16-8-10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNPAVQDWUJIQJOB-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302621
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
ethyl 4-[(4-fluorophenyl)methylamino]-4-oxobutanoate
CID 60637699
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide (CID 68558290) is N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide is CC(CCC(=O)NCc1ccc(F)cc1)C(N)=O.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide?
The InChIKey is NPAVQDWUJIQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(13(15)18)2-7-12(17)16-8-10-3-5-11(14)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide?
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide has a molecular weight of 252.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide is sourced from PubChem (CID 68558290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).