4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride

C13H19Cl2N3O2 — CID 119818676

IUPAC4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-8(12(18)16-2)7-17(3)13(19)10-5-4-9(15)6-11(10)14;/h4-6,8H,7,15H2,1-3H3,(H,16,18);1H
InChIKeyCEEDVDPLTBNIHB-UHFFFAOYSA-N
MW320.22 g/mol
LogP1.80
Rot. Bonds4

About 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride

4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride (PubChem CID 119818676) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
PubChem CID119818676
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-8(12(18)16-2)7-17(3)13(19)10-5-4-9(15)6-11(10)14;/h4-6,8H,7,15H2,1-3H3,(H,16,18);1H
InChIKeyCEEDVDPLTBNIHB-UHFFFAOYSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
CID 119730930
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride (CID 119818676) is 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride is CNC(=O)C(C)CN(C)C(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride?
The InChIKey is CEEDVDPLTBNIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2.ClH/c1-8(12(18)16-2)7-17(3)13(19)10-5-4-9(15)6-11(10)14;/h4-6,8H,7,15H2,1-3H3,(H,16,18);1H.
What are the key properties of 4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride?
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride has a molecular weight of 320.22 g/mol, XLogP of 1.80, 4 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-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride is sourced from PubChem (CID 119818676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).