1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

C30H31FN2O — CID 16751917

IUPAC1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCCCCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C
InChIInChI=1S/C30H31FN2O/c1-4-5-20-33-28(21(2)3)27(30(34)32-25-14-10-7-11-15-25)26(22-12-8-6-9-13-22)29(33)23-16-18-24(31)19-17-23/h6-19,21H,4-5,20H2,1-3H3,(H,32,34)
InChIKeyOOIANRVAMLXIGO-UHFFFAOYSA-N
MW454.59 g/mol
LogP8.14
Rot. Bonds8

About 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 16751917) has the molecular formula C30H31FN2O and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
PubChem CID16751917
Molecular FormulaC30H31FN2O
Molecular Weight454.59 g/mol
Exact Mass454.24
IUPAC Name1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCCCCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C
InChIInChI=1S/C30H31FN2O/c1-4-5-20-33-28(21(2)3)27(30(34)32-25-14-10-7-11-15-25)26(22-12-8-6-9-13-22)29(33)23-16-18-24(31)19-17-23/h6-19,21H,4-5,20H2,1-3H3,(H,32,34)
InChIKeyOOIANRVAMLXIGO-UHFFFAOYSA-N
XLogP8.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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LY-344864
CID 5311097
HC067047
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CID 44397406
2-(2-fluorophenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397542
1-(2,4-difluorobenzyl)-2,3-dimethyl-N-(1-phenylpropyl)-1H-indole-5-carboxamide
CID 71075321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 142589857

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 16751917) is 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is CCCCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C.
What is the InChIKey of 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is OOIANRVAMLXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O/c1-4-5-20-33-28(21(2)3)27(30(34)32-25-14-10-7-11-15-25)26(22-12-8-6-9-13-22)29(33)23-16-18-24(31)19-17-23/h6-19,21H,4-5,20H2,1-3H3,(H,32,34).
What are the key properties of 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide?
1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 8.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 16751917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).