4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide

C12H19ClN2O2 — CID 64557195

IUPAC4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC(C)(CC)CO
InChIInChI=1S/C12H19ClN2O2/c1-4-12(3,8-16)14-11(17)10-6-9(13)7-15(10)5-2/h6-7,16H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyLRSJSFRPOVCKSI-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.05
Rot. Bonds5

About 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide

4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide (PubChem CID 64557195) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
PubChem CID64557195
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC(C)(CC)CO
InChIInChI=1S/C12H19ClN2O2/c1-4-12(3,8-16)14-11(17)10-6-9(13)7-15(10)5-2/h6-7,16H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyLRSJSFRPOVCKSI-UHFFFAOYSA-N
XLogP2.05
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853
4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 64558356
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098
4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 64555951
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethylpyrrole-2-carboxamide
CID 106143135
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
3-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43639447
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
4-chloro-1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrrole-2-carboxamide
CID 114177451

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide (CID 64557195) is 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NC(C)(CC)CO.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is LRSJSFRPOVCKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-4-12(3,8-16)14-11(17)10-6-9(13)7-15(10)5-2/h6-7,16H,4-5,8H2,1-3H3,(H,14,17).
What are the key properties of 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 258.75 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 64557195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).