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

C15H21Cl2N3O — CID 82813502

IUPAC4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
SMILESCCN1CCCC1CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H21Cl2N3O/c1-3-20-6-4-5-11(20)9-19(2)15(21)10-7-12(16)14(18)13(17)8-10/h7-8,11H,3-6,9,18H2,1-2H3
InChIKeyPWOICVHYXKPNLO-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.13
Rot. Bonds4

About 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide

4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide (PubChem CID 82813502) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
PubChem CID82813502
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
SMILESCCN1CCCC1CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H21Cl2N3O/c1-3-20-6-4-5-11(20)9-19(2)15(21)10-7-12(16)14(18)13(17)8-10/h7-8,11H,3-6,9,18H2,1-2H3
InChIKeyPWOICVHYXKPNLO-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

5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 107185486
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501971
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 136511984
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79672225
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
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
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79315633

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide (CID 82813502) is 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide is CCN1CCCC1CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
The InChIKey is PWOICVHYXKPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-3-20-6-4-5-11(20)9-19(2)15(21)10-7-12(16)14(18)13(17)8-10/h7-8,11H,3-6,9,18H2,1-2H3.
What are the key properties of 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide?
4-amino-3,5-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 4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 82813502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).