2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone

C25H22N2O2 — CID 86272430

IUPAC2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]cc2-c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H22N2O2/c1-29-21-14-8-13-20(15-21)27-24(19-11-6-3-7-12-19)25(28)23-17-26-16-22(23)18-9-4-2-5-10-18/h2-17,24,26-27H,1H3
InChIKeyPJMFUHFOCUCKIQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.73
Rot. Bonds7

About 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone

2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone (PubChem CID 86272430) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
PubChem CID86272430
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]cc2-c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H22N2O2/c1-29-21-14-8-13-20(15-21)27-24(19-11-6-3-7-12-19)25(28)23-17-26-16-22(23)18-9-4-2-5-10-18/h2-17,24,26-27H,1H3
InChIKeyPJMFUHFOCUCKIQ-UHFFFAOYSA-N
XLogP5.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 86728829
2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone
CID 122606975
1-(6-isocyano-1H-indol-3-yl)-2-(3-methoxyanilino)-2-phenylethanone
CID 123459596
2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
CID 86728775
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
2-(3-methoxyanilino)-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-phenylethanone;hydrochloride
CID 86728858
1-imidazo[1,2-a]pyridin-3-yl-2-(3-methoxyanilino)-2-phenylethanone
CID 86728817
methyl 2-(4-bromophenyl)-2-(3-methoxyanilino)acetate
CID 60994307
1-(5-methoxy-1H-indol-3-yl)-2-[(2-methoxy-4-pyridinyl)amino]-2-phenylethanone
CID 86728681
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 15310332

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone (CID 86272430) is 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone is COc1cccc(NC(C(=O)c2c[nH]cc2-c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is PJMFUHFOCUCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-29-21-14-8-13-20(15-21)27-24(19-11-6-3-7-12-19)25(28)23-17-26-16-22(23)18-9-4-2-5-10-18/h2-17,24,26-27H,1H3.
What are the key properties of 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone?
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 382.46 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 86272430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).