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

C13H19Cl2N3O — CID 82833362

IUPAC4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O/c1-8(4-5-18(2)3)17-13(19)9-6-10(14)12(16)11(15)7-9/h6-8H,4-5,16H2,1-3H3,(H,17,19)
InChIKeySHTRARVYMMJSGF-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.65
Rot. Bonds5

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

4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide (PubChem CID 82833362) 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)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
PubChem CID82833362
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H19Cl2N3O/c1-8(4-5-18(2)3)17-13(19)9-6-10(14)12(16)11(15)7-9/h6-8H,4-5,16H2,1-3H3,(H,17,19)
InChIKeySHTRARVYMMJSGF-UHFFFAOYSA-N
XLogP2.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide (CID 82833362) is 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide is CC(CCN(C)C)NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
The InChIKey is SHTRARVYMMJSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-8(4-5-18(2)3)17-13(19)9-6-10(14)12(16)11(15)7-9/h6-8H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide?
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide has a molecular weight of 304.22 g/mol, XLogP of 2.65, 5 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)butan-2-yl]benzamide is sourced from PubChem (CID 82833362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).