N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

C11H17Cl2N3O — CID 81484379

IUPACN-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H17Cl2N3O/c1-3-11(14,4-2)6-15-10(17)8-5-7(12)9(13)16-8/h5,16H,3-4,6,14H2,1-2H3,(H,15,17)
InChIKeyZLEPHXPAWLHERT-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.57
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 81484379) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID81484379
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC NameN-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H17Cl2N3O/c1-3-11(14,4-2)6-15-10(17)8-5-7(12)9(13)16-8/h5,16H,3-4,6,14H2,1-2H3,(H,15,17)
InChIKeyZLEPHXPAWLHERT-UHFFFAOYSA-N
XLogP2.57
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-(2-hydroxy-2,3-dimethylbutyl)-1H-pyrrole-2-carboxamide
CID 111486398
4,5-dichloro-N-(2-sulfamoylethyl)-1H-pyrrole-2-carboxamide
CID 61131054
4,5-dichloro-N-(1-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 64557361
N-(2-amino-3-hydroxybutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 64541676
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-(2-amino-2-ethylbutyl)-5-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119641038
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063917
N-(2-amino-2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119643000
N-(2-amino-2-ethylbutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119639746
4,5-dichloro-N-(4-hydroxy-2-methylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115869820

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 81484379) is N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is CCC(N)(CC)CNC(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is ZLEPHXPAWLHERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O/c1-3-11(14,4-2)6-15-10(17)8-5-7(12)9(13)16-8/h5,16H,3-4,6,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide has a molecular weight of 278.18 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 81484379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).