N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide

C17H20N2O2 — CID 169082722

IUPACN-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H20N2O2/c20-14-8-6-13(7-9-14)18-17(21)16-11-10-15(19-16)12-4-2-1-3-5-12/h1-5,10-11,13-14,19-20H,6-9H2,(H,18,21)
InChIKeyIIKWDEPYVAEIFN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.71
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide

N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 169082722) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID169082722
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H20N2O2/c20-14-8-6-13(7-9-14)18-17(21)16-11-10-15(19-16)12-4-2-1-3-5-12/h1-5,10-11,13-14,19-20H,6-9H2,(H,18,21)
InChIKeyIIKWDEPYVAEIFN-UHFFFAOYSA-N
XLogP2.71
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide (CID 169082722) is N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide is O=C(NC1CCC(O)CC1)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is IIKWDEPYVAEIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-14-8-6-13(7-9-14)18-17(21)16-11-10-15(19-16)12-4-2-1-3-5-12/h1-5,10-11,13-14,19-20H,6-9H2,(H,18,21).
What are the key properties of N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide?
N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 169082722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).