4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole

C18H17F2N — CID 142843060

IUPAC4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole
SMILESCc1cccc(C2C=C(c3cc(F)ccc3F)CN2C)c1
InChIInChI=1S/C18H17F2N/c1-12-4-3-5-13(8-12)18-9-14(11-21(18)2)16-10-15(19)6-7-17(16)20/h3-10,18H,11H2,1-2H3
InChIKeyIEDNLXKSKZOQPQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.34
Rot. Bonds2

About 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole

4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole (PubChem CID 142843060) has the molecular formula C18H17F2N and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole
PubChem CID142843060
Molecular FormulaC18H17F2N
Molecular Weight285.34 g/mol
Exact Mass285.13
IUPAC Name4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole
SMILESCc1cccc(C2C=C(c3cc(F)ccc3F)CN2C)c1
InChIInChI=1S/C18H17F2N/c1-12-4-3-5-13(8-12)18-9-14(11-21(18)2)16-10-15(19)6-7-17(16)20/h3-10,18H,11H2,1-2H3
InChIKeyIEDNLXKSKZOQPQ-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol
CID 142843142
4-(2,5-difluorophenyl)-1-methyl-2-phenyl-2,5-dihydropyrrole;N,2-dimethylpropan-1-amine;formaldehyde
CID 142843022
(2S)-4-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)-2-phenyl-2,5-dihydropyrrole
CID 58641378
2-(3-aminophenyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide
CID 10088803
2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide
CID 58641402
(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 142843058
3-[(2S)-4-(2,5-difluorophenyl)-1-[(E)-2-methylsulfonylethenyl]-2,5-dihydropyrrol-2-yl]phenol
CID 142842930
(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2,5-dihydropyrrol-1-yl]ethane-1,2-diol
CID 68897179
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-hydroxybutan-2-one
CID 91593238
(2R)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-methylbutan-1-one
CID 24901495
3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine
CID 142842990
[(2S)-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68897748

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole?
The IUPAC name of 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole (CID 142843060) is 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole?
The canonical SMILES for 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole is Cc1cccc(C2C=C(c3cc(F)ccc3F)CN2C)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole?
The InChIKey is IEDNLXKSKZOQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N/c1-12-4-3-5-13(8-12)18-9-14(11-21(18)2)16-10-15(19)6-7-17(16)20/h3-10,18H,11H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole?
4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole has a molecular weight of 285.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 142843060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).