4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide

C15H17Cl2N3O — CID 61106865

IUPAC4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C15H17Cl2N3O/c1-9(12-5-4-10(16)6-13(12)17)20(3)15(21)14-7-11(18)8-19(14)2/h4-9H,18H2,1-3H3
InChIKeyRYDAOPXYSQAAIL-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.75
Rot. Bonds3

About 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 61106865) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID61106865
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C15H17Cl2N3O/c1-9(12-5-4-10(16)6-13(12)17)20(3)15(21)14-7-11(18)8-19(14)2/h4-9H,18H2,1-3H3
InChIKeyRYDAOPXYSQAAIL-UHFFFAOYSA-N
XLogP3.75
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 43643844
4-bromo-N-[1-(2,5-difluorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60954413
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 61106865) is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is RYDAOPXYSQAAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-9(12-5-4-10(16)6-13(12)17)20(3)15(21)14-7-11(18)8-19(14)2/h4-9H,18H2,1-3H3.
What are the key properties of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 61106865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).