N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide

C18H22FN3O — CID 110441661

IUPACN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
SMILESCN(C)CCNc1ccc(CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O/c1-22(2)12-11-20-17-9-3-14(4-10-17)13-21-18(23)15-5-7-16(19)8-6-15/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyNAVCKJLGFZXQGQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.73
Rot. Bonds7

About N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide (PubChem CID 110441661) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
PubChem CID110441661
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
SMILESCN(C)CCNc1ccc(CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FN3O/c1-22(2)12-11-20-17-9-3-14(4-10-17)13-21-18(23)15-5-7-16(19)8-6-15/h3-10,20H,11-13H2,1-2H3,(H,21,23)
InChIKeyNAVCKJLGFZXQGQ-UHFFFAOYSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 112981313
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide
CID 110445798
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide (CID 110441661) is N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide is CN(C)CCNc1ccc(CNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide?
The InChIKey is NAVCKJLGFZXQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-22(2)12-11-20-17-9-3-14(4-10-17)13-21-18(23)15-5-7-16(19)8-6-15/h3-10,20H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide?
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide has a molecular weight of 315.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 110441661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).