4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride

C14H22Cl3N3O — CID 119874360

IUPAC4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
SMILESCCN(CCNC(=O)c1ccc(N)cc1Cl)C1CC1.Cl.Cl
InChIInChI=1S/C14H20ClN3O.2ClH/c1-2-18(11-4-5-11)8-7-17-14(19)12-6-3-10(16)9-13(12)15;;/h3,6,9,11H,2,4-5,7-8,16H2,1H3,(H,17,19);2*1H
InChIKeyJYRXULVNLBOKLR-UHFFFAOYSA-N
MW354.71 g/mol
LogP2.98
Rot. Bonds6

About 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride

4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride (PubChem CID 119874360) has the molecular formula C14H22Cl3N3O and a molecular weight of 354.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
PubChem CID119874360
Molecular FormulaC14H22Cl3N3O
Molecular Weight354.71 g/mol
Exact Mass353.08
IUPAC Name4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
SMILESCCN(CCNC(=O)c1ccc(N)cc1Cl)C1CC1.Cl.Cl
InChIInChI=1S/C14H20ClN3O.2ClH/c1-2-18(11-4-5-11)8-7-17-14(19)12-6-3-10(16)9-13(12)15;;/h3,6,9,11H,2,4-5,7-8,16H2,1H3,(H,17,19);2*1H
InChIKeyJYRXULVNLBOKLR-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.71
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride 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

4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
4-amino-2-chloro-N-[2-[ethyl(2-oxoethyl)amino]-2-oxoethyl]benzamide
CID 88985152
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-2-chloro-N-[2-(oxan-4-yl)ethyl]benzamide
CID 119724818
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride (CID 119874360) is 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride is CCN(CCNC(=O)c1ccc(N)cc1Cl)C1CC1.Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride?
The InChIKey is JYRXULVNLBOKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O.2ClH/c1-2-18(11-4-5-11)8-7-17-14(19)12-6-3-10(16)9-13(12)15;;/h3,6,9,11H,2,4-5,7-8,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride?
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride has a molecular weight of 354.71 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119874360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).