2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C13H20ClN3O — CID 113331750

IUPAC2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H20ClN3O/c1-9(2)17(3)8-7-16-13(18)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyFIGQMGCLBZQINA-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.99
Rot. Bonds5

About 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 113331750) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID113331750
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(C)CCNC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H20ClN3O/c1-9(2)17(3)8-7-16-13(18)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyFIGQMGCLBZQINA-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.99
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-amino-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 113331749
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
2-amino-3-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 115540069
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 113331750) is 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is CC(C)N(C)CCNC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is FIGQMGCLBZQINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(2)17(3)8-7-16-13(18)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 269.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 113331750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).