4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide

C12H16Cl2N2O2 — CID 104927518

IUPAC4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-16-9(6-7(13)11(16)14)12(18)15-8-4-2-3-5-10(8)17/h6,8,10,17H,2-5H2,1H3,(H,15,18)/t8-,10-/m1/s1
InChIKeyYFKWWEHDPMGVAW-PSASIEDQSA-N
MW291.18 g/mol
LogP2.37
Rot. Bonds2

About 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide (PubChem CID 104927518) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide
PubChem CID104927518
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-16-9(6-7(13)11(16)14)12(18)15-8-4-2-3-5-10(8)17/h6,8,10,17H,2-5H2,1H3,(H,15,18)/t8-,10-/m1/s1
InChIKeyYFKWWEHDPMGVAW-PSASIEDQSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 94414860
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide
CID 86771936
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
4-amino-1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrole-2-carboxamide
CID 107211253

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide (CID 104927518) is 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YFKWWEHDPMGVAW-PSASIEDQSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-16-9(6-7(13)11(16)14)12(18)15-8-4-2-3-5-10(8)17/h6,8,10,17H,2-5H2,1H3,(H,15,18)/t8-,10-/m1/s1.
What are the key properties of 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 104927518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).