4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C22H23BrN4O3 — CID 112824282

IUPAC4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O
InChIInChI=1S/C22H23BrN4O3/c1-13-18(14(2)27(3)26-13)9-10-24-22(30)19-8-7-17(12-20(19)28)25-21(29)15-5-4-6-16(23)11-15/h4-8,11-12,28H,9-10H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyZZELYBXJVYLWHR-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.73
Rot. Bonds6

About 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 112824282) has the molecular formula C22H23BrN4O3 and a molecular weight of 471.36 g/mol. Its IUPAC name is 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID112824282
Molecular FormulaC22H23BrN4O3
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC Name4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O
InChIInChI=1S/C22H23BrN4O3/c1-13-18(14(2)27(3)26-13)9-10-24-22(30)19-8-7-17(12-20(19)28)25-21(29)15-5-4-6-16(23)11-15/h4-8,11-12,28H,9-10H2,1-3H3,(H,24,30)(H,25,29)
InChIKeyZZELYBXJVYLWHR-UHFFFAOYSA-N
XLogP3.73
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
3-bromo-N-[2-[[N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111951027
3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 112530111
2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99630725
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 86930517
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
3-iodo-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 22781791
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 112530116

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 112824282) is 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is Cc1nn(C)c(C)c1CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1O.
What is the InChIKey of 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is ZZELYBXJVYLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O3/c1-13-18(14(2)27(3)26-13)9-10-24-22(30)19-8-7-17(12-20(19)28)25-21(29)15-5-4-6-16(23)11-15/h4-8,11-12,28H,9-10H2,1-3H3,(H,24,30)(H,25,29).
What are the key properties of 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 471.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromobenzoyl)amino]-2-hydroxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 112824282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).