4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H19Cl2N3O — CID 82833409

IUPAC4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-5-3-10(4-6-18)19(2)14(20)9-7-11(15)13(17)12(16)8-9/h7-8,10H,3-6,17H2,1-2H3
InChIKeyYTECQWCJBOVKKR-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.74
Rot. Bonds2

About 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 82833409) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID82833409
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-5-3-10(4-6-18)19(2)14(20)9-7-11(15)13(17)12(16)8-9/h7-8,10H,3-6,17H2,1-2H3
InChIKeyYTECQWCJBOVKKR-UHFFFAOYSA-N
XLogP2.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 82833409) is 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is YTECQWCJBOVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18-5-3-10(4-6-18)19(2)14(20)9-7-11(15)13(17)12(16)8-9/h7-8,10H,3-6,17H2,1-2H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 82833409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).