2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide

C18H21ClFN3O — CID 110445798

IUPAC2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide
SMILESCN(C)CCNc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H21ClFN3O/c1-23(2)11-10-21-14-8-6-13(7-9-14)12-22-18(24)17-15(19)4-3-5-16(17)20/h3-9,21H,10-12H2,1-2H3,(H,22,24)
InChIKeyBBRZHLBUHKBWII-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.38
Rot. Bonds7

About 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide

2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide (PubChem CID 110445798) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide
PubChem CID110445798
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide
SMILESCN(C)CCNc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H21ClFN3O/c1-23(2)11-10-21-14-8-6-13(7-9-14)12-22-18(24)17-15(19)4-3-5-16(17)20/h3-9,21H,10-12H2,1-2H3,(H,22,24)
InChIKeyBBRZHLBUHKBWII-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
2-chloro-6-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 14772555
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2-chloro-6-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992254
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]pyridine-4-carboxamide
CID 110444852
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide (CID 110445798) is 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide is CN(C)CCNc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide?
The InChIKey is BBRZHLBUHKBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-23(2)11-10-21-14-8-6-13(7-9-14)12-22-18(24)17-15(19)4-3-5-16(17)20/h3-9,21H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide?
2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide has a molecular weight of 349.84 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 110445798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).