1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide

C30H26FN3O4 — CID 83278388

IUPAC1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
SMILESO=C(COCc1ccccc1)Nc1ccc2c(c1)cc(C(=O)NCc1ccco1)n2Cc1ccc(F)cc1
InChIInChI=1S/C30H26FN3O4/c31-24-10-8-21(9-11-24)18-34-27-13-12-25(33-29(35)20-37-19-22-5-2-1-3-6-22)15-23(27)16-28(34)30(36)32-17-26-7-4-14-38-26/h1-16H,17-20H2,(H,32,36)(H,33,35)
InChIKeyDRYVRFJVFMZTAM-UHFFFAOYSA-N
MW511.55 g/mol
LogP5.51
Rot. Bonds10

About 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide (PubChem CID 83278388) has the molecular formula C30H26FN3O4 and a molecular weight of 511.55 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
PubChem CID83278388
Molecular FormulaC30H26FN3O4
Molecular Weight511.55 g/mol
Exact Mass511.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
SMILESO=C(COCc1ccccc1)Nc1ccc2c(c1)cc(C(=O)NCc1ccco1)n2Cc1ccc(F)cc1
InChIInChI=1S/C30H26FN3O4/c31-24-10-8-21(9-11-24)18-34-27-13-12-25(33-29(35)20-37-19-22-5-2-1-3-6-22)15-23(27)16-28(34)30(36)32-17-26-7-4-14-38-26/h1-16H,17-20H2,(H,32,36)(H,33,35)
InChIKeyDRYVRFJVFMZTAM-UHFFFAOYSA-N
XLogP5.51
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-N-(furan-2-ylmethyl)indole-2-carboxamide
CID 83272495
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
6-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797139
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide (CID 83278388) is 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide is O=C(COCc1ccccc1)Nc1ccc2c(c1)cc(C(=O)NCc1ccco1)n2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide?
The InChIKey is DRYVRFJVFMZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O4/c31-24-10-8-21(9-11-24)18-34-27-13-12-25(33-29(35)20-37-19-22-5-2-1-3-6-22)15-23(27)16-28(34)30(36)32-17-26-7-4-14-38-26/h1-16H,17-20H2,(H,32,36)(H,33,35).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 5.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide is sourced from PubChem (CID 83278388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).