1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide

C22H22N2O — CID 86936385

IUPAC1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1CC1c1ccccc1)c1cccn1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c25-22(23-15-19-14-20(19)18-10-5-2-6-11-18)21-12-7-13-24(21)16-17-8-3-1-4-9-17/h1-13,19-20H,14-16H2,(H,23,25)
InChIKeyPNDNIEMVCNBESL-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.07
Rot. Bonds6

About 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide

1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide (PubChem CID 86936385) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
PubChem CID86936385
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1CC1c1ccccc1)c1cccn1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c25-22(23-15-19-14-20(19)18-10-5-2-6-11-18)21-12-7-13-24(21)16-17-8-3-1-4-9-17/h1-13,19-20H,14-16H2,(H,23,25)
InChIKeyPNDNIEMVCNBESL-UHFFFAOYSA-N
XLogP4.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide (CID 86936385) is 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide is O=C(NCC1CC1c1ccccc1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide?
The InChIKey is PNDNIEMVCNBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(23-15-19-14-20(19)18-10-5-2-6-11-18)21-12-7-13-24(21)16-17-8-3-1-4-9-17/h1-13,19-20H,14-16H2,(H,23,25).
What are the key properties of 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide?
1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-phenylcyclopropyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 86936385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).