4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C12H19ClN2O3 — CID 106182879

IUPAC4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOCC(CO)NC(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C12H19ClN2O3/c1-8(2)15-5-9(13)4-11(15)12(17)14-10(6-16)7-18-3/h4-5,8,10,16H,6-7H2,1-3H3,(H,14,17)
InChIKeyAPRGFUJIUVQUSH-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.46
Rot. Bonds6

About 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 106182879) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID106182879
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOCC(CO)NC(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C12H19ClN2O3/c1-8(2)15-5-9(13)4-11(15)12(17)14-10(6-16)7-18-3/h4-5,8,10,16H,6-7H2,1-3H3,(H,14,17)
InChIKeyAPRGFUJIUVQUSH-UHFFFAOYSA-N
XLogP1.46
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113264472
4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642719
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959
N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylimidazole-4-carboxamide
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4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106180191
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
4-chloro-1-propan-2-yl-N-prop-2-ynylpyrrole-2-carboxamide
CID 61345032
5-(4-methoxybutan-2-ylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611438
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79246119
N-(1-hydroxy-3-methoxypropan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 106182879) is 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is COCC(CO)NC(=O)c1cc(Cl)cn1C(C)C.
What is the InChIKey of 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is APRGFUJIUVQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-8(2)15-5-9(13)4-11(15)12(17)14-10(6-16)7-18-3/h4-5,8,10,16H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106182879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).