4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride

C12H20Cl3N3O — CID 119861815

IUPAC4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
SMILESCC(CNC(=O)c1ccc(N)cc1Cl)N(C)C.Cl.Cl
InChIInChI=1S/C12H18ClN3O.2ClH/c1-8(16(2)3)7-15-12(17)10-5-4-9(14)6-11(10)13;;/h4-6,8H,7,14H2,1-3H3,(H,15,17);2*1H
InChIKeyVQCYSIKXAMPPBY-UHFFFAOYSA-N
MW328.67 g/mol
LogP2.45
Rot. Bonds4

About 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride

4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride (PubChem CID 119861815) has the molecular formula C12H20Cl3N3O and a molecular weight of 328.67 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
PubChem CID119861815
Molecular FormulaC12H20Cl3N3O
Molecular Weight328.67 g/mol
Exact Mass327.07
IUPAC Name4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
SMILESCC(CNC(=O)c1ccc(N)cc1Cl)N(C)C.Cl.Cl
InChIInChI=1S/C12H18ClN3O.2ClH/c1-8(16(2)3)7-15-12(17)10-5-4-9(14)6-11(10)13;;/h4-6,8H,7,14H2,1-3H3,(H,15,17);2*1H
InChIKeyVQCYSIKXAMPPBY-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.67
LogP ≤ 52.45
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

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CID 115738201
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CID 47000809
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CID 119737738
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
CID 119730930
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
CID 61140669

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride (CID 119861815) is 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride is CC(CNC(=O)c1ccc(N)cc1Cl)N(C)C.Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride?
The InChIKey is VQCYSIKXAMPPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O.2ClH/c1-8(16(2)3)7-15-12(17)10-5-4-9(14)6-11(10)13;;/h4-6,8H,7,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride?
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride has a molecular weight of 328.67 g/mol, XLogP of 2.45, 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-[2-(dimethylamino)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119861815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).