2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide

C28H23FN4O2 — CID 53299934

IUPAC2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESNc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H23FN4O2/c29-20-12-10-17(11-13-20)23-24(27(30)33-25(23)26(34)18-6-2-1-3-7-18)28(35)31-15-14-19-16-32-22-9-5-4-8-21(19)22/h1-13,16,32-33H,14-15,30H2,(H,31,35)
InChIKeyDIALJVDSCCULOQ-UHFFFAOYSA-N
MW466.52 g/mol
LogP5.09
Rot. Bonds7

About 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide

2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 53299934) has the molecular formula C28H23FN4O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID53299934
Molecular FormulaC28H23FN4O2
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC Name2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESNc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H23FN4O2/c29-20-12-10-17(11-13-20)23-24(27(30)33-25(23)26(34)18-6-2-1-3-7-18)28(35)31-15-14-19-16-32-22-9-5-4-8-21(19)22/h1-13,16,32-33H,14-15,30H2,(H,31,35)
InChIKeyDIALJVDSCCULOQ-UHFFFAOYSA-N
XLogP5.09
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 56588245
2-amino-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxybenzoyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 53299915
2-amino-4-(3,4-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxybenzoyl)-1H-pyrrole-3-carboxamide
CID 53299935
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[1-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 3760760
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 53299934) is 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide is Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is DIALJVDSCCULOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2/c29-20-12-10-17(11-13-20)23-24(27(30)33-25(23)26(34)18-6-2-1-3-7-18)28(35)31-15-14-19-16-32-22-9-5-4-8-21(19)22/h1-13,16,32-33H,14-15,30H2,(H,31,35).
What are the key properties of 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide?
2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 5.09, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzoyl-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 53299934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).