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

C15H21Cl2N3O — CID 82813179

IUPAC4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-19-5-3-10(4-6-19)9-20(2)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyBASAWCWVKVOHOF-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.99
Rot. Bonds3

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

4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 82813179) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID82813179
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-19-5-3-10(4-6-19)9-20(2)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyBASAWCWVKVOHOF-UHFFFAOYSA-N
XLogP2.99
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409
4-amino-3-chloro-N-(cyclopropylmethyl)-N-methyl-5-nitrobenzamide
CID 55041700
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511
4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63233409
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235022

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 82813179) is 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CN(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)methyl]benzamide?
The InChIKey is BASAWCWVKVOHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-19-5-3-10(4-6-19)9-20(2)15(21)11-7-12(16)14(18)13(17)8-11/h7-8,10H,3-6,9,18H2,1-2H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 330.26 g/mol, XLogP of 2.99, 3 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)methyl]benzamide is sourced from PubChem (CID 82813179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).