3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide

C21H21ClN2O — CID 166336070

IUPAC3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide
SMILESCCN(Cc1cccc(C(N)=O)c1)Cc1cccc2cc(Cl)ccc12
InChIInChI=1S/C21H21ClN2O/c1-2-24(13-15-5-3-7-17(11-15)21(23)25)14-18-8-4-6-16-12-19(22)9-10-20(16)18/h3-12H,2,13-14H2,1H3,(H2,23,25)
InChIKeyUGTDICAWJQMBJZ-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.61
Rot. Bonds6

About 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide

3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide (PubChem CID 166336070) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide
PubChem CID166336070
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide
SMILESCCN(Cc1cccc(C(N)=O)c1)Cc1cccc2cc(Cl)ccc12
InChIInChI=1S/C21H21ClN2O/c1-2-24(13-15-5-3-7-17(11-15)21(23)25)14-18-8-4-6-16-12-19(22)9-10-20(16)18/h3-12H,2,13-14H2,1H3,(H2,23,25)
InChIKeyUGTDICAWJQMBJZ-UHFFFAOYSA-N
XLogP4.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Calhex 231
CID 11849514
9-chlorobenzo(h)isoquinolin-1(2H)-one
CID 11993732
2-[(E)-2-(3-chlorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71456615
6-Chloro-2-ethyl-1H-benz[de]isoquinoline-1,3(2H)-dione
CID 2842933
Dipeptidyl nitrile inhibitor, 14
CID 44224124
Dipeptidyl nitrile inhibitor, 17
CID 44224127
N1-(2-(aminomethyl)-5-chlorobenzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 53320316
2-(5-Selenocyanato-pentyl)-6-chlorobenzo-[de]isoquinoline-1,3-dione
CID 53324516
4-chloro-N-[(1R,2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide
CID 73265205
Yqgabqdoefqykk-uhfffaoysa-
CID 10548245
6,7-Dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 5124048
6-Chloro-11-[2-(dimethylamino)ethyl]-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
CID 10383404

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide?
The IUPAC name of 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide (CID 166336070) is 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide is CCN(Cc1cccc(C(N)=O)c1)Cc1cccc2cc(Cl)ccc12.
What is the InChIKey of 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide?
The InChIKey is UGTDICAWJQMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-2-24(13-15-5-3-7-17(11-15)21(23)25)14-18-8-4-6-16-12-19(22)9-10-20(16)18/h3-12H,2,13-14H2,1H3,(H2,23,25).
What are the key properties of 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide?
3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide has a molecular weight of 352.87 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloronaphthalen-1-yl)methyl-ethylamino]methyl]benzamide is sourced from PubChem (CID 166336070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).