3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide

C12H17Cl2N3O — CID 61140669

IUPAC3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
SMILESCC(CNC(=O)c1cc(N)c(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C12H17Cl2N3O/c1-7(17(2)3)6-16-12(18)8-4-9(13)11(14)10(15)5-8/h4-5,7H,6,15H2,1-3H3,(H,16,18)
InChIKeyKHDNHUQCKUCERF-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide

3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide (PubChem CID 61140669) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
PubChem CID61140669
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
SMILESCC(CNC(=O)c1cc(N)c(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C12H17Cl2N3O/c1-7(17(2)3)6-16-12(18)8-4-9(13)11(14)10(15)5-8/h4-5,7H,6,15H2,1-3H3,(H,16,18)
InChIKeyKHDNHUQCKUCERF-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.26
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

3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
3-amino-4,5-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62845335
3-amino-N-[(2S)-2-(dimethylamino)propyl]-5-(trifluoromethyl)benzamide
CID 163362848
2-amino-N-[2-(dimethylamino)propyl]pyridine-4-carboxamide
CID 62161100
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61116726
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide (CID 61140669) is 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide is CC(CNC(=O)c1cc(N)c(Cl)c(Cl)c1)N(C)C.
What is the InChIKey of 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide?
The InChIKey is KHDNHUQCKUCERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-7(17(2)3)6-16-12(18)8-4-9(13)11(14)10(15)5-8/h4-5,7H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide?
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide has a molecular weight of 290.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 61140669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).