5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide

C15H21Cl2N3O — CID 107185486

IUPAC5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
SMILESCCN1CCCC1CN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-3-20-6-4-5-11(20)9-19(2)15(21)12-7-10(18)8-13(16)14(12)17/h7-8,11H,3-6,9,18H2,1-2H3
InChIKeyODUSQHNVHLRTJL-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.13
Rot. Bonds4

About 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide

5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide (PubChem CID 107185486) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
PubChem CID107185486
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
SMILESCCN1CCCC1CN(C)C(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-3-20-6-4-5-11(20)9-19(2)15(21)12-7-10(18)8-13(16)14(12)17/h7-8,11H,3-6,9,18H2,1-2H3
InChIKeyODUSQHNVHLRTJL-UHFFFAOYSA-N
XLogP3.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.13
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-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501971
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793
5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
CID 107183529
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79315633
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide (CID 107185486) is 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide is CCN1CCCC1CN(C)C(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
The InChIKey is ODUSQHNVHLRTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-3-20-6-4-5-11(20)9-19(2)15(21)12-7-10(18)8-13(16)14(12)17/h7-8,11H,3-6,9,18H2,1-2H3.
What are the key properties of 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide has a molecular weight of 330.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 107185486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).