N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C14H12BrNO3 — CID 110699336

IUPACN-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO3/c1-8-7-12(17)19-9(2)13(8)14(18)16-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,18)
InChIKeyWKXKMKDRMDAHTK-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.27
Rot. Bonds2

About N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 110699336) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID110699336
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO3/c1-8-7-12(17)19-9(2)13(8)14(18)16-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,18)
InChIKeyWKXKMKDRMDAHTK-UHFFFAOYSA-N
XLogP3.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699384
methyl 4-[(2,4-dimethyl-6-oxopyran-3-carbonyl)amino]benzoate
CID 110699348
N-(4-ethoxyphenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 965047
N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[3-(diethylsulfamoyl)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 17419678
2,4-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-oxopyran-3-carboxamide
CID 71865394
2,4-dimethyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyran-3-carboxamide
CID 3773292
N-(9,10-dioxoanthracen-1-yl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 3276435
2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
CID 110699363
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 110699336) is N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is WKXKMKDRMDAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-7-12(17)19-9(2)13(8)14(18)16-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110699336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).