N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide

C13H13Cl2N3O — CID 19520530

IUPACN-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1ncc(Cl)c1C
InChIInChI=1S/C13H13Cl2N3O/c1-8-10(14)4-3-5-12(8)17-13(19)7-18-9(2)11(15)6-16-18/h3-6H,7H2,1-2H3,(H,17,19)
InChIKeySGXXQISMKLALOW-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.45
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide (PubChem CID 19520530) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
PubChem CID19520530
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1ncc(Cl)c1C
InChIInChI=1S/C13H13Cl2N3O/c1-8-10(14)4-3-5-12(8)17-13(19)7-18-9(2)11(15)6-16-18/h3-6H,7H2,1-2H3,(H,17,19)
InChIKeySGXXQISMKLALOW-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(3-chloro-2-methylphenyl)-2-[6-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 23601447
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 19477154
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19520612
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide (CID 19520530) is N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1ncc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
The InChIKey is SGXXQISMKLALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8-10(14)4-3-5-12(8)17-13(19)7-18-9(2)11(15)6-16-18/h3-6H,7H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide has a molecular weight of 298.17 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19520530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).