4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C14H19Cl2N3O — CID 82833511

IUPAC4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O/c1-18(6-7-19-4-2-3-5-19)14(20)10-8-11(15)13(17)12(16)9-10/h8-9H,2-7,17H2,1H3
InChIKeyWFAQNCLMZBPSKK-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.74
Rot. Bonds4

About 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 82833511) 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-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID82833511
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O/c1-18(6-7-19-4-2-3-5-19)14(20)10-8-11(15)13(17)12(16)9-10/h8-9H,2-7,17H2,1H3
InChIKeyWFAQNCLMZBPSKK-UHFFFAOYSA-N
XLogP2.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
2-chloro-6-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63208995
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 82833511) is 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is CN(CCN1CCCC1)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is WFAQNCLMZBPSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18(6-7-19-4-2-3-5-19)14(20)10-8-11(15)13(17)12(16)9-10/h8-9H,2-7,17H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 2.74, 4 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-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 82833511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).