5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide

C20H15BrN2O5 — CID 1417940

IUPAC5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3coc(=O)c(Br)c3)cc2)cc1
InChIInChI=1S/C20H15BrN2O5/c1-27-16-8-6-15(7-9-16)22-18(24)12-2-4-14(5-3-12)23-19(25)13-10-17(21)20(26)28-11-13/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyJHUOEYXBAJXZAE-UHFFFAOYSA-N
MW443.25 g/mol
LogP3.92
Rot. Bonds5

About 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide

5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide (PubChem CID 1417940) has the molecular formula C20H15BrN2O5 and a molecular weight of 443.25 g/mol. Its IUPAC name is 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide
PubChem CID1417940
Molecular FormulaC20H15BrN2O5
Molecular Weight443.25 g/mol
Exact Mass442.02
IUPAC Name5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3coc(=O)c(Br)c3)cc2)cc1
InChIInChI=1S/C20H15BrN2O5/c1-27-16-8-6-15(7-9-16)22-18(24)12-2-4-14(5-3-12)23-19(25)13-10-17(21)20(26)28-11-13/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyJHUOEYXBAJXZAE-UHFFFAOYSA-N
XLogP3.92
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.25
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide (CID 1417940) is 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3coc(=O)c(Br)c3)cc2)cc1.
What is the InChIKey of 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide?
The InChIKey is JHUOEYXBAJXZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2O5/c1-27-16-8-6-15(7-9-16)22-18(24)12-2-4-14(5-3-12)23-19(25)13-10-17(21)20(26)28-11-13/h2-11H,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide?
5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide has a molecular weight of 443.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 1417940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).