5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide

C21H19BrN2O3 — CID 55786558

IUPAC5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1C
InChIInChI=1S/C21H19BrN2O3/c1-13-7-6-9-16(14(13)2)23-20(25)15-8-4-5-10-17(15)24(3)21(26)18-11-12-19(22)27-18/h4-12H,1-3H3,(H,23,25)
InChIKeyADMINAJKTXBFHE-UHFFFAOYSA-N
MW427.30 g/mol
LogP5.19
Rot. Bonds4

About 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 55786558) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID55786558
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1C
InChIInChI=1S/C21H19BrN2O3/c1-13-7-6-9-16(14(13)2)23-20(25)15-8-4-5-10-17(15)24(3)21(26)18-11-12-19(22)27-18/h4-12H,1-3H3,(H,23,25)
InChIKeyADMINAJKTXBFHE-UHFFFAOYSA-N
XLogP5.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.30
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-N-[2-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 112838198
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CID 55929010
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
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5-bromo-N-[2-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
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CID 55928894
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55967199
5-bromo-N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55981246

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide (CID 55786558) is 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide is Cc1cccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)c1C.
What is the InChIKey of 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is ADMINAJKTXBFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-13-7-6-9-16(14(13)2)23-20(25)15-8-4-5-10-17(15)24(3)21(26)18-11-12-19(22)27-18/h4-12H,1-3H3,(H,23,25).
What are the key properties of 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55786558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).