3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine

C21H22F2N2 — CID 142842990

IUPAC3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine
SMILESC=C(CN1CC(c2cc(F)ccc2F)=CC1c1ccccc1)NCC
InChIInChI=1S/C21H22F2N2/c1-3-24-15(2)13-25-14-17(19-12-18(22)9-10-20(19)23)11-21(25)16-7-5-4-6-8-16/h4-12,21,24H,2-3,13-14H2,1H3
InChIKeyVVJQUZWZNLNWBR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.53
Rot. Bonds6

About 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine

3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine (PubChem CID 142842990) has the molecular formula C21H22F2N2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine
PubChem CID142842990
Molecular FormulaC21H22F2N2
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine
SMILESC=C(CN1CC(c2cc(F)ccc2F)=CC1c1ccccc1)NCC
InChIInChI=1S/C21H22F2N2/c1-3-24-15(2)13-25-14-17(19-12-18(22)9-10-20(19)23)11-21(25)16-7-5-4-6-8-16/h4-12,21,24H,2-3,13-14H2,1H3
InChIKeyVVJQUZWZNLNWBR-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide
CID 58641402
(2S)-4-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)-2-phenyl-2,5-dihydropyrrole
CID 58641378
1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-piperazin-1-ylpropan-2-one
CID 69266113
(2S)-4-(2,5-difluorophenyl)-N-(2-methylpropyl)-2-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 160837602
2-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylbutanamide
CID 68897092
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-hydroxybutan-2-one
CID 91593238
(2S)-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-(ethylamino)ethanone
CID 142842975
2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]butanamide
CID 142842983
(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 142843058
4-(2,5-difluorophenyl)-1-methyl-2-phenyl-2,5-dihydropyrrole;N,2-dimethylpropan-1-amine;formaldehyde
CID 142843022
(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)-1-methyl-2,5-dihydropyrrol-2-yl]phenol
CID 142843142

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine?
The IUPAC name of 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine (CID 142842990) is 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine.
What is the SMILES notation for 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine?
The canonical SMILES for 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine is C=C(CN1CC(c2cc(F)ccc2F)=CC1c1ccccc1)NCC.
What is the InChIKey of 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine?
The InChIKey is VVJQUZWZNLNWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2/c1-3-24-15(2)13-25-14-17(19-12-18(22)9-10-20(19)23)11-21(25)16-7-5-4-6-8-16/h4-12,21,24H,2-3,13-14H2,1H3.
What are the key properties of 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine?
3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine has a molecular weight of 340.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine is sourced from PubChem (CID 142842990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).