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

C21H22ClN5O2 — CID 78815790

IUPACN-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O2/c1-13-20(14(2)27(3)26-13)25-19(28)12-23-18-7-5-4-6-17(18)21(29)24-16-10-8-15(22)9-11-16/h4-11,23H,12H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyPHMKOBKGEACCOB-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.99
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide (PubChem CID 78815790) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
PubChem CID78815790
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
SMILESCc1nn(C)c(C)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O2/c1-13-20(14(2)27(3)26-13)25-19(28)12-23-18-7-5-4-6-17(18)21(29)24-16-10-8-15(22)9-11-16/h4-11,23H,12H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyPHMKOBKGEACCOB-UHFFFAOYSA-N
XLogP3.99
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78817610
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-[2-(2-chlorophenoxy)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911711
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106367
2-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 16553153

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide (CID 78815790) is N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide is Cc1nn(C)c(C)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
The InChIKey is PHMKOBKGEACCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-13-20(14(2)27(3)26-13)25-19(28)12-23-18-7-5-4-6-17(18)21(29)24-16-10-8-15(22)9-11-16/h4-11,23H,12H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide has a molecular weight of 411.89 g/mol, XLogP of 3.99, 6 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-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide is sourced from PubChem (CID 78815790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).