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

C13H19Cl2N3O — CID 82833147

IUPAC4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
SMILESCN(C)CCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O/c1-18(2)6-4-3-5-17-13(19)9-7-10(14)12(16)11(15)8-9/h7-8H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyABTKGRSHSDFZTA-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.65
Rot. Bonds6

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

4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide (PubChem CID 82833147) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
PubChem CID82833147
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
SMILESCN(C)CCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O/c1-18(2)6-4-3-5-17-13(19)9-7-10(14)12(16)11(15)8-9/h7-8H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyABTKGRSHSDFZTA-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
6-amino-5-chloro-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 55041683
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
2-amino-5-chloro-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 114922789
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
4-amino-3,5-dichloro-N-(2-cyanoethyl)benzamide
CID 82832483
4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104931694

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide (CID 82833147) is 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide is CN(C)CCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide?
The InChIKey is ABTKGRSHSDFZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-18(2)6-4-3-5-17-13(19)9-7-10(14)12(16)11(15)8-9/h7-8H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide?
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide has a molecular weight of 304.22 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide is sourced from PubChem (CID 82833147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).