N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide

C18H19FN2O2 — CID 91939014

IUPACN-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NCc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c19-16-8-6-15(7-9-16)13-21-18(23)11-10-17(22)20-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,22)(H,21,23)
InChIKeyLYIRRUNMHPBLIY-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.54
Rot. Bonds7

About N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide

N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide (PubChem CID 91939014) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
PubChem CID91939014
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NCc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c19-16-8-6-15(7-9-16)13-21-18(23)11-10-17(22)20-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,22)(H,21,23)
InChIKeyLYIRRUNMHPBLIY-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
N'-benzylbutanediamide
CID 4682951
N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
CID 123100558
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
N-benzyl-4-[2-[3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 3414927
N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 110674327

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide?
The IUPAC name of N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide (CID 91939014) is N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide.
What is the SMILES notation for N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide?
The canonical SMILES for N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide is O=C(CCC(=O)NCc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide?
The InChIKey is LYIRRUNMHPBLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-8-6-15(7-9-16)13-21-18(23)11-10-17(22)20-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide?
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide has a molecular weight of 314.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide is sourced from PubChem (CID 91939014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).