N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide

C18H22ClN3O — CID 2805368

IUPACN-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide
SMILESCN(C)c1cccc(N(C)C)c1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-21(2)16-6-5-7-17(22(3)4)15(16)12-20-18(23)13-8-10-14(19)11-9-13/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyRRRSRKPYXUVLMR-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.40
Rot. Bonds5

About N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide

N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide (PubChem CID 2805368) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide
PubChem CID2805368
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide
SMILESCN(C)c1cccc(N(C)C)c1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-21(2)16-6-5-7-17(22(3)4)15(16)12-20-18(23)13-8-10-14(19)11-9-13/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyRRRSRKPYXUVLMR-UHFFFAOYSA-N
XLogP3.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 91449149
N-[(4-chlorophenyl)methyl]-4-(dimethylamino)-3-nitrobenzamide
CID 27660355
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666
4-chloro-N-[(4,6-dimethyl-2-sulfanylidene-1H-pyridin-3-yl)methyl]benzamide
CID 672153
4-chloro-N-[2-[(4-chlorobenzoyl)-naphthalen-1-ylamino]ethyl]benzamide
CID 4857734
N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide
CID 11795286
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide?
The IUPAC name of N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide (CID 2805368) is N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide.
What is the SMILES notation for N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide?
The canonical SMILES for N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide is CN(C)c1cccc(N(C)C)c1CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide?
The InChIKey is RRRSRKPYXUVLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-21(2)16-6-5-7-17(22(3)4)15(16)12-20-18(23)13-8-10-14(19)11-9-13/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide?
N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide has a molecular weight of 331.85 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide is sourced from PubChem (CID 2805368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).