N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

C19H21FN2O2 — CID 51181138

IUPACN-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-22(14-15-9-11-17(20)12-10-15)18(23)8-5-13-21-19(24)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,24)
InChIKeyFGDXXXUNDNGSKI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.99
Rot. Bonds7

About N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 51181138) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID51181138
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-22(14-15-9-11-17(20)12-10-15)18(23)8-5-13-21-19(24)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,24)
InChIKeyFGDXXXUNDNGSKI-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 55427222
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
CID 39758747
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-[2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111306707
N-[4-[methyl-[(3-nitrophenyl)methyl]amino]-4-oxobutyl]benzamide
CID 46404872

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (CID 51181138) is N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is CN(Cc1ccc(F)cc1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is FGDXXXUNDNGSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-22(14-15-9-11-17(20)12-10-15)18(23)8-5-13-21-19(24)16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 51181138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).