N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide

C26H24ClN5O2 — CID 24510665

IUPACN-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN5O2/c1-17-25(18(2)32(31-17)21-8-4-3-5-9-21)30-24(33)16-28-23-11-7-6-10-22(23)26(34)29-20-14-12-19(27)13-15-20/h3-15,28H,16H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyCMIXVNXGZRLGOG-UHFFFAOYSA-N
MW473.96 g/mol
LogP5.45
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 24510665) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
PubChem CID24510665
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC NameN-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN5O2/c1-17-25(18(2)32(31-17)21-8-4-3-5-9-21)30-24(33)16-28-23-11-7-6-10-22(23)26(34)29-20-14-12-19(27)13-15-20/h3-15,28H,16H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyCMIXVNXGZRLGOG-UHFFFAOYSA-N
XLogP5.45
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.96
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide with MolForge

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Related Compounds

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N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
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CID 112801271
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CID 51275540
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide (CID 24510665) is N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is CMIXVNXGZRLGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c1-17-25(18(2)32(31-17)21-8-4-3-5-9-21)30-24(33)16-28-23-11-7-6-10-22(23)26(34)29-20-14-12-19(27)13-15-20/h3-15,28H,16H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 473.96 g/mol, XLogP of 5.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 24510665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).