N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide

C23H20N2O2 — CID 177375501

IUPACN-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cccn1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c26-23(24-16-21-8-5-15-27-21)22-9-4-14-25(22)17-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-15H,16-17H2,(H,24,26)
InChIKeyOBFXNRCXGLKLIP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.73
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide

N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 177375501) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID177375501
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1ccco1)c1cccn1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c26-23(24-16-21-8-5-15-27-21)22-9-4-14-25(22)17-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-15H,16-17H2,(H,24,26)
InChIKeyOBFXNRCXGLKLIP-UHFFFAOYSA-N
XLogP4.73
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
5-benzyl-N-(furan-2-ylmethyl)-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23770832
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 47061689
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
CID 34241101
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide (CID 177375501) is N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide is O=C(NCc1ccco1)c1cccn1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is OBFXNRCXGLKLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(24-16-21-8-5-15-27-21)22-9-4-14-25(22)17-18-10-12-20(13-11-18)19-6-2-1-3-7-19/h1-15H,16-17H2,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide?
N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 177375501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).