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

C13H19ClN2O2 — CID 64558356

IUPAC4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C13H19ClN2O2/c1-3-13(2,8-17)15-12(18)11-6-9(14)7-16(11)10-4-5-10/h6-7,10,17H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyFXFKNCOOZZMNDX-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.37
Rot. Bonds5

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

4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide (PubChem CID 64558356) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
PubChem CID64558356
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCCC(C)(CO)NC(=O)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C13H19ClN2O2/c1-3-13(2,8-17)15-12(18)11-6-9(14)7-16(11)10-4-5-10/h6-7,10,17H,3-5,8H2,1-2H3,(H,15,18)
InChIKeyFXFKNCOOZZMNDX-UHFFFAOYSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-2-ethylbutanoic acid
CID 79806260
4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 64557195
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
4-chloro-1-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrole-2-carboxamide
CID 79252428
4-chloro-1-cyclopropyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyrrole-2-carboxamide
CID 106143139
4-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 64555951
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640281
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 63193983
4-chloro-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222329
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81065103
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
CID 43640351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide (CID 64558356) is 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide is CCC(C)(CO)NC(=O)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is FXFKNCOOZZMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-13(2,8-17)15-12(18)11-6-9(14)7-16(11)10-4-5-10/h6-7,10,17H,3-5,8H2,1-2H3,(H,15,18).
What are the key properties of 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 64558356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).