3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C15H21Cl2N3O — CID 114514817

IUPAC3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2cc(N)c(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-20-6-3-10(4-7-20)2-5-19-15(21)11-8-12(16)14(17)13(18)9-11/h8-10H,2-7,18H2,1H3,(H,19,21)
InChIKeyMAJOBECYAZCIAV-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.04
Rot. Bonds4

About 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 114514817) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID114514817
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2cc(N)c(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-20-6-3-10(4-7-20)2-5-19-15(21)11-8-12(16)14(17)13(18)9-11/h8-10H,2-7,18H2,1H3,(H,19,21)
InChIKeyMAJOBECYAZCIAV-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.04
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

4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 114514817) is 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is CN1CCC(CCNC(=O)c2cc(N)c(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is MAJOBECYAZCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-20-6-3-10(4-7-20)2-5-19-15(21)11-8-12(16)14(17)13(18)9-11/h8-10H,2-7,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 330.26 g/mol, XLogP of 3.04, 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-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 114514817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).