2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide

C15H17Cl2N3O — CID 73388057

IUPAC2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide
SMILESCC1=C(C(=O)NCCc2ccc(Cl)cc2Cl)N=C(N)C1C
InChIInChI=1S/C15H17Cl2N3O/c1-8-9(2)14(18)20-13(8)15(21)19-6-5-10-3-4-11(16)7-12(10)17/h3-4,7,9H,5-6H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyWCXZICRGKWQWCY-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide (PubChem CID 73388057) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide
PubChem CID73388057
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide
SMILESCC1=C(C(=O)NCCc2ccc(Cl)cc2Cl)N=C(N)C1C
InChIInChI=1S/C15H17Cl2N3O/c1-8-9(2)14(18)20-13(8)15(21)19-6-5-10-3-4-11(16)7-12(10)17/h3-4,7,9H,5-6H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyWCXZICRGKWQWCY-UHFFFAOYSA-N
XLogP2.93
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110300163
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide (CID 73388057) is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide is CC1=C(C(=O)NCCc2ccc(Cl)cc2Cl)N=C(N)C1C.
What is the InChIKey of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide?
The InChIKey is WCXZICRGKWQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-8-9(2)14(18)20-13(8)15(21)19-6-5-10-3-4-11(16)7-12(10)17/h3-4,7,9H,5-6H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide?
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 73388057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).