5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide

C18H15BrN2O3 — CID 84558997

IUPAC5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O3/c1-12-5-2-3-6-13(12)11-23-14-7-4-10-20-17(14)21-18(22)15-8-9-16(19)24-15/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyBYCGXPDTPOPTCY-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.58
Rot. Bonds5

About 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide

5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide (PubChem CID 84558997) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
PubChem CID84558997
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
SMILESCc1ccccc1COc1cccnc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C18H15BrN2O3/c1-12-5-2-3-6-13(12)11-23-14-7-4-10-20-17(14)21-18(22)15-8-9-16(19)24-15/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyBYCGXPDTPOPTCY-UHFFFAOYSA-N
XLogP4.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
CID 84559658
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
CID 84563209
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
CID 84559480
3-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]propanamide
CID 84559542
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]butanamide
CID 84559868

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide (CID 84558997) is 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide is Cc1ccccc1COc1cccnc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is BYCGXPDTPOPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-12-5-2-3-6-13(12)11-23-14-7-4-10-20-17(14)21-18(22)15-8-9-16(19)24-15/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide?
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 84558997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).