N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide

C13H11Cl2F2N3O2 — CID 19520668

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H11Cl2F2N3O2/c1-7-10(15)5-18-20(7)6-12(21)19-8-2-3-11(9(14)4-8)22-13(16)17/h2-5,13H,6H2,1H3,(H,19,21)
InChIKeyIGNMQJMZMSSZRB-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.74
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide (PubChem CID 19520668) has the molecular formula C13H11Cl2F2N3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
PubChem CID19520668
Molecular FormulaC13H11Cl2F2N3O2
Molecular Weight350.15 g/mol
Exact Mass349.02
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H11Cl2F2N3O2/c1-7-10(15)5-18-20(7)6-12(21)19-8-2-3-11(9(14)4-8)22-13(16)17/h2-5,13H,6H2,1H3,(H,19,21)
InChIKeyIGNMQJMZMSSZRB-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519176
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521910
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520566
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(5-chloro-2-pyridinyl)sulfanyl]acetamide
CID 112815647
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide (CID 19520668) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide is Cc1c(Cl)cnn1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
The InChIKey is IGNMQJMZMSSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F2N3O2/c1-7-10(15)5-18-20(7)6-12(21)19-8-2-3-11(9(14)4-8)22-13(16)17/h2-5,13H,6H2,1H3,(H,19,21).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide has a molecular weight of 350.15 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19520668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).