4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide

C13H13ClN4O2 — CID 115663401

IUPAC4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cn[nH]c1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-8-6-16-18-12(8)17-11(19)7-15-13(20)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,20)(H2,16,17,18,19)
InChIKeyLXNJSRMGPSUTIZ-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.74
Rot. Bonds4

About 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide (PubChem CID 115663401) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide
PubChem CID115663401
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cn[nH]c1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-8-6-16-18-12(8)17-11(19)7-15-13(20)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,20)(H2,16,17,18,19)
InChIKeyLXNJSRMGPSUTIZ-UHFFFAOYSA-N
XLogP1.74
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 113238275
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691460
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide (CID 115663401) is 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide is Cc1cn[nH]c1NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is LXNJSRMGPSUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8-6-16-18-12(8)17-11(19)7-15-13(20)9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 292.73 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115663401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).