N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide

C19H18N2O — CID 51211674

IUPACN-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C19H18N2O/c22-19(18-12-7-13-20-18)21-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,20H,14H2,(H,21,22)
InChIKeyUVFNFMLYPCGCAH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.58
Rot. Bonds5

About N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide

N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 51211674) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide
PubChem CID51211674
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C19H18N2O/c22-19(18-12-7-13-20-18)21-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,20H,14H2,(H,21,22)
InChIKeyUVFNFMLYPCGCAH-UHFFFAOYSA-N
XLogP3.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide (CID 51211674) is N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)c1ccc[nH]1.
What is the InChIKey of N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is UVFNFMLYPCGCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19(18-12-7-13-20-18)21-14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,20H,14H2,(H,21,22).
What are the key properties of N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide?
N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51211674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).