2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide

C13H20ClN3O — CID 113331728

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

About 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide

2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide (PubChem CID 113331728) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
PubChem CID113331728
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C13H20ClN3O/c1-9(7-8-17(2)3)16-13(18)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyZCVVHWZLYGFMES-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-(4-methylpentan-2-yl)benzamide
CID 113331662
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
CID 62247539
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
2-amino-3-chloro-N-pent-1-yn-3-ylbenzamide
CID 106223380
2-amino-3-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150718

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide (CID 113331728) is 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide is CC(CCN(C)C)NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
The InChIKey is ZCVVHWZLYGFMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(7-8-17(2)3)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-[4-(dimethylamino)butan-2-yl]benzamide?
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]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-[4-(dimethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 113331728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).