4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide

C18H19Cl2N3O2 — CID 70314162

IUPAC4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
SMILESNCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCNC3)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c19-15-8-13(9-16(20)17(15)25-6-4-21)18(24)23-14-2-1-12-10-22-5-3-11(12)7-14/h1-2,7-9,22H,3-6,10,21H2,(H,23,24)
InChIKeyHWEZCPLLNBZPPH-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.23
Rot. Bonds5

About 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide

4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide (PubChem CID 70314162) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
PubChem CID70314162
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
SMILESNCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCNC3)cc1Cl
InChIInChI=1S/C18H19Cl2N3O2/c19-15-8-13(9-16(20)17(15)25-6-4-21)18(24)23-14-2-1-12-10-22-5-3-11(12)7-14/h1-2,7-9,22H,3-6,10,21H2,(H,23,24)
InChIKeyHWEZCPLLNBZPPH-UHFFFAOYSA-N
XLogP3.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide with MolForge

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Related Compounds

3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
2,2,2-trichloroethyl N-(1,2,3,4-tetrahydroisoquinolin-6-yl)carbamate;hydrochloride
CID 140772815
4-cyano-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 121005559
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
5-[(2-chlorophenoxy)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 25012853
2,3-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901931
4-(morpholin-4-yliminomethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 160604648
4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide
CID 143492214

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
The IUPAC name of 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide (CID 70314162) is 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide is NCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCNC3)cc1Cl.
What is the InChIKey of 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
The InChIKey is HWEZCPLLNBZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c19-15-8-13(9-16(20)17(15)25-6-4-21)18(24)23-14-2-1-12-10-22-5-3-11(12)7-14/h1-2,7-9,22H,3-6,10,21H2,(H,23,24).
What are the key properties of 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide has a molecular weight of 380.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3,5-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide is sourced from PubChem (CID 70314162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).