1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid

C19H15F3N2O3 — CID 174947147

IUPAC1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccn(-c2ccccc2)c1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H14N2O.C2HF3O2/c18-17(20)15-11-12-19(14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13;3-2(4,5)1(6)7/h1-12H,(H2,18,20);(H,6,7)
InChIKeyFGJMPRJESKTTME-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.88
Rot. Bonds3

About 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid

1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 174947147) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID174947147
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccn(-c2ccccc2)c1-c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H14N2O.C2HF3O2/c18-17(20)15-11-12-19(14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13;3-2(4,5)1(6)7/h1-12H,(H2,18,20);(H,6,7)
InChIKeyFGJMPRJESKTTME-UHFFFAOYSA-N
XLogP3.88
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 117650397
CID 117650397
CID 11381449
CID 11381449
CID 10379137
CID 10379137
CID 9038340
CID 9038340
CID 823187
CID 823187
CID 23585103
CID 23585103
CID 91936847
CID 91936847
CID 1095469
CID 1095469
CID 1481237
CID 1481237
CID 1481242
CID 1481242
CID 4919610
CID 4919610
CID 10139526
CID 10139526

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 174947147) is 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1ccn(-c2ccccc2)c1-c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FGJMPRJESKTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O.C2HF3O2/c18-17(20)15-11-12-19(14-9-5-2-6-10-14)16(15)13-7-3-1-4-8-13;3-2(4,5)1(6)7/h1-12H,(H2,18,20);(H,6,7).
What are the key properties of 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 376.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174947147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).