4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

C20H19BrN4O3 — CID 46409143

IUPAC4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3cc(Br)cn3)cc2)c1
InChIInChI=1S/C20H19BrN4O3/c1-24(13-19(26)23-16-4-3-5-18(10-16)28-2)20(27)14-6-8-17(9-7-14)25-12-15(21)11-22-25/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyGBJCNKCGSSZHDG-UHFFFAOYSA-N
MW443.30 g/mol
LogP3.35
Rot. Bonds6

About 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 46409143) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID46409143
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3cc(Br)cn3)cc2)c1
InChIInChI=1S/C20H19BrN4O3/c1-24(13-19(26)23-16-4-3-5-18(10-16)28-2)20(27)14-6-8-17(9-7-14)25-12-15(21)11-22-25/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyGBJCNKCGSSZHDG-UHFFFAOYSA-N
XLogP3.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
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N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
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1-(3-chlorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 43059088
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
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N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 46409143) is 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is COc1cccc(NC(=O)CN(C)C(=O)c2ccc(-n3cc(Br)cn3)cc2)c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GBJCNKCGSSZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c1-24(13-19(26)23-16-4-3-5-18(10-16)28-2)20(27)14-6-8-17(9-7-14)25-12-15(21)11-22-25/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide?
4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 443.30 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 46409143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).