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

C13H18ClN3O2 — CID 106913799

IUPAC2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClN3O2/c1-8(12(18)16-2)7-17(3)13(19)10-5-4-9(14)6-11(10)15/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeyLUWIDEVJVUFPML-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.38
Rot. Bonds4

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

2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106913799) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106913799
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H18ClN3O2/c1-8(12(18)16-2)7-17(3)13(19)10-5-4-9(14)6-11(10)15/h4-6,8H,7,15H2,1-3H3,(H,16,18)
InChIKeyLUWIDEVJVUFPML-UHFFFAOYSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.38
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
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 102739507
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (CID 106913799) is 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)CN(C)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is LUWIDEVJVUFPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-8(12(18)16-2)7-17(3)13(19)10-5-4-9(14)6-11(10)15/h4-6,8H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106913799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).