5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C20H15BrF2N2O — CID 71105418

IUPAC5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(-c2cc(Br)c3c(c2)CCO3)cn1
InChIInChI=1S/C20H15BrF2N2O/c21-16-9-14(8-12-6-7-26-20(12)16)13-4-5-19(24-10-13)25-11-15-17(22)2-1-3-18(15)23/h1-5,8-10H,6-7,11H2,(H,24,25)
InChIKeyHFRPWUCHBZIVDG-UHFFFAOYSA-N
MW417.25 g/mol
LogP5.34
Rot. Bonds4

About 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 71105418) has the molecular formula C20H15BrF2N2O and a molecular weight of 417.25 g/mol. Its IUPAC name is 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
PubChem CID71105418
Molecular FormulaC20H15BrF2N2O
Molecular Weight417.25 g/mol
Exact Mass416.03
IUPAC Name5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(-c2cc(Br)c3c(c2)CCO3)cn1
InChIInChI=1S/C20H15BrF2N2O/c21-16-9-14(8-12-6-7-26-20(12)16)13-4-5-19(24-10-13)25-11-15-17(22)2-1-3-18(15)23/h1-5,8-10H,6-7,11H2,(H,24,25)
InChIKeyHFRPWUCHBZIVDG-UHFFFAOYSA-N
XLogP5.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.25
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine with MolForge

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Related Compounds

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-ethoxy-6-fluorophenyl)ethyl)-
CID 3001125
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-ethoxy-2,3-difluorophenyl)ethyl)-
CID 3001126
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 56816232
Ethyl 4-{3-bromo-5-fluoro-4-[3-(pyridin-2-ylamino)propoxy]phenyl}-3,3-dimethylbutanoate
CID 12018738
1-(3-Bromo-2-pyridinyl)-3-[2-(2-ethoxy-6-fluorophenyl)ethyl]thiourea
CID 19703360
1-(3-Bromo-2-pyridinyl)-3-[2-(4-ethoxy-2,6-difluorophenyl)ethyl]thiourea
CID 19703704
N-(2-ethoxy-5,6-difluorophenethyl)-N'-(5-bromopyrid-2-yl)-urea
CID 22615117
N-[3-[2-bromo-4-(2,2-dimethylbutyl)-6-fluorophenoxy]propyl]pyridin-2-amine
CID 22978430
N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486668
N-[5-(6-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 58486905
N-[5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 58486930
N-[5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 58487061

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 71105418) is 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is Fc1cccc(F)c1CNc1ccc(-c2cc(Br)c3c(c2)CCO3)cn1.
What is the InChIKey of 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is HFRPWUCHBZIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O/c21-16-9-14(8-12-6-7-26-20(12)16)13-4-5-19(24-10-13)25-11-15-17(22)2-1-3-18(15)23/h1-5,8-10H,6-7,11H2,(H,24,25).
What are the key properties of 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 417.25 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71105418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).