4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide

C10H15ClN2O2 — CID 43500997

IUPAC4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC(C)(C)CO
InChIInChI=1S/C10H15ClN2O2/c1-10(2,6-14)12-9(15)8-4-7(11)5-13(8)3/h4-5,14H,6H2,1-3H3,(H,12,15)
InChIKeyLNDRTGQXEZDPJO-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.18
Rot. Bonds3

About 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 43500997) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID43500997
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC(C)(C)CO
InChIInChI=1S/C10H15ClN2O2/c1-10(2,6-14)12-9(15)8-4-7(11)5-13(8)3/h4-5,14H,6H2,1-3H3,(H,12,15)
InChIKeyLNDRTGQXEZDPJO-UHFFFAOYSA-N
XLogP1.18
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
5-Chloro-N-(2-hydroxyethyl)-2-pyridinecarboxamide
CID 64398418
N-(2-chloroacetyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 2393641
4,5-dichloro-N,1-dimethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
CID 45814345
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47387088
N-(2-amino-2-oxoethyl)-4,5-dichloro-N,1-dimethylpyrrole-2-carboxamide
CID 53500805
5-chloro-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 64398215
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879931
4-chloro-N-(3-hydroxypropyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 71913925
4-chloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79248971
4-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18119524
1-(4-chloro-1H-pyrrole-2-carbonyl)piperazine
CID 28740798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide (CID 43500997) is 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NC(C)(C)CO.
What is the InChIKey of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is LNDRTGQXEZDPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-10(2,6-14)12-9(15)8-4-7(11)5-13(8)3/h4-5,14H,6H2,1-3H3,(H,12,15).
What are the key properties of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide?
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 230.69 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43500997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).