N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide

C24H24FNO — CID 175469141

IUPACN-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide
SMILESO=CN(CCC(Cc1ccc(F)cc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO/c25-24-13-11-20(12-14-24)17-23(22-9-5-2-6-10-22)15-16-26(19-27)18-21-7-3-1-4-8-21/h1-14,19,23H,15-18H2
InChIKeyNVBSCAGIDAKDFD-UHFFFAOYSA-N
MW361.46 g/mol
LogP5.20
Rot. Bonds9

About N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide

N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide (PubChem CID 175469141) has the molecular formula C24H24FNO and a molecular weight of 361.46 g/mol. Its IUPAC name is N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide
PubChem CID175469141
Molecular FormulaC24H24FNO
Molecular Weight361.46 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide
SMILESO=CN(CCC(Cc1ccc(F)cc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24FNO/c25-24-13-11-20(12-14-24)17-23(22-9-5-2-6-10-22)15-16-26(19-27)18-21-7-3-1-4-8-21/h1-14,19,23H,15-18H2
InChIKeyNVBSCAGIDAKDFD-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-pentylformamide
CID 177471699
N-benzyl-N-[(3-fluorophenyl)methyl]formamide
CID 87852455
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3,4-diphenylbutyl methanesulfonate
CID 10063639
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide?
The IUPAC name of N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide (CID 175469141) is N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide.
What is the SMILES notation for N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide?
The canonical SMILES for N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide is O=CN(CCC(Cc1ccc(F)cc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide?
The InChIKey is NVBSCAGIDAKDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO/c25-24-13-11-20(12-14-24)17-23(22-9-5-2-6-10-22)15-16-26(19-27)18-21-7-3-1-4-8-21/h1-14,19,23H,15-18H2.
What are the key properties of N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide?
N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide has a molecular weight of 361.46 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide is sourced from PubChem (CID 175469141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).