N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide

C26H22N2O — CID 134952525

IUPACN-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1cccc1/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O/c29-26(27-20-22-13-6-2-7-14-22)28-18-10-17-25(28)24(23-15-8-3-9-16-23)19-21-11-4-1-5-12-21/h1-19H,20H2,(H,27,29)/b24-19-
InChIKeyQSYPCDDRHAHNBX-CLCOLTQESA-N
MW378.48 g/mol
LogP5.83
Rot. Bonds5

About N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide

N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide (PubChem CID 134952525) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide
PubChem CID134952525
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC NameN-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1cccc1/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O/c29-26(27-20-22-13-6-2-7-14-22)28-18-10-17-25(28)24(23-15-8-3-9-16-23)19-21-11-4-1-5-12-21/h1-19H,20H2,(H,27,29)/b24-19-
InChIKeyQSYPCDDRHAHNBX-CLCOLTQESA-N
XLogP5.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(benzylcarbamoylamino)pyrrole-2-carboxylic acid
CID 118085107
N-benzyl-2,5-dioxopyrrole-1-carboxamide
CID 13227743
CID 173126547
CID 173126547
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632
N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5438976
1-(2-phenylacetyl)pyrrole-2-carboxylic acid
CID 138559871
N-benzylazonane-1-carboxamide
CID 130689649
N-(benzylcarbamothioyl)benzamide
CID 700976
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide?
The IUPAC name of N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide (CID 134952525) is N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide.
What is the SMILES notation for N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide?
The canonical SMILES for N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide is O=C(NCc1ccccc1)n1cccc1/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide?
The InChIKey is QSYPCDDRHAHNBX-CLCOLTQESA-N. The full InChI is InChI=1S/C26H22N2O/c29-26(27-20-22-13-6-2-7-14-22)28-18-10-17-25(28)24(23-15-8-3-9-16-23)19-21-11-4-1-5-12-21/h1-19H,20H2,(H,27,29)/b24-19-.
What are the key properties of N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide?
N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(Z)-1,2-diphenylethenyl]pyrrole-1-carboxamide is sourced from PubChem (CID 134952525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).