3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine

C18H17BrF2N2O — CID 141243091

IUPAC3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
SMILESCc1cc(C2(c3cccc(Br)c3)C=C(N)NC2)ccc1OC(F)F
InChIInChI=1S/C18H17BrF2N2O/c1-11-7-13(5-6-15(11)24-17(20)21)18(9-16(22)23-10-18)12-3-2-4-14(19)8-12/h2-9,17,23H,10,22H2,1H3
InChIKeyMCJDQCHFAZNLDJ-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.05
Rot. Bonds4

About 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine

3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine (PubChem CID 141243091) has the molecular formula C18H17BrF2N2O and a molecular weight of 395.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
PubChem CID141243091
Molecular FormulaC18H17BrF2N2O
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine
SMILESCc1cc(C2(c3cccc(Br)c3)C=C(N)NC2)ccc1OC(F)F
InChIInChI=1S/C18H17BrF2N2O/c1-11-7-13(5-6-15(11)24-17(20)21)18(9-16(22)23-10-18)12-3-2-4-14(19)8-12/h2-9,17,23H,10,22H2,1H3
InChIKeyMCJDQCHFAZNLDJ-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine (CID 141243091) is 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine is Cc1cc(C2(c3cccc(Br)c3)C=C(N)NC2)ccc1OC(F)F.
What is the InChIKey of 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine?
The InChIKey is MCJDQCHFAZNLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N2O/c1-11-7-13(5-6-15(11)24-17(20)21)18(9-16(22)23-10-18)12-3-2-4-14(19)8-12/h2-9,17,23H,10,22H2,1H3.
What are the key properties of 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine?
3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine has a molecular weight of 395.25 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-[4-(difluoromethoxy)-3-methylphenyl]-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141243091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).