N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide

C12H11BrClN3O2 — CID 147911483

IUPACN-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
SMILESCn1ccc(OCc2c(Cl)cccc2C(=O)NBr)n1
InChIInChI=1S/C12H11BrClN3O2/c1-17-6-5-11(16-17)19-7-9-8(12(18)15-13)3-2-4-10(9)14/h2-6H,7H2,1H3,(H,15,18)
InChIKeyIGFKGHFYNBFUKT-UHFFFAOYSA-N
MW344.60 g/mol
LogP2.69
Rot. Bonds4

About N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide

N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide (PubChem CID 147911483) has the molecular formula C12H11BrClN3O2 and a molecular weight of 344.60 g/mol. Its IUPAC name is N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
PubChem CID147911483
Molecular FormulaC12H11BrClN3O2
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC NameN-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
SMILESCn1ccc(OCc2c(Cl)cccc2C(=O)NBr)n1
InChIInChI=1S/C12H11BrClN3O2/c1-17-6-5-11(16-17)19-7-9-8(12(18)15-13)3-2-4-10(9)14/h2-6H,7H2,1H3,(H,15,18)
InChIKeyIGFKGHFYNBFUKT-UHFFFAOYSA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
N-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
CID 157459494
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 157106420
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
3-[(2-chloro-6-ethoxyphenyl)methoxy]-1-methylpyrazole
CID 159947437
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
3-[(2,6-dibromophenyl)methoxy]-1-methylpyrazole
CID 159067473
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
3-ethenyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 155217864
3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl azide
CID 159780699
2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzoyl chloride
CID 158512862
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303

Frequently Asked Questions

What is the IUPAC name of N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
The IUPAC name of N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide (CID 147911483) is N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide.
What is the SMILES notation for N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
The canonical SMILES for N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide is Cn1ccc(OCc2c(Cl)cccc2C(=O)NBr)n1.
What is the InChIKey of N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
The InChIKey is IGFKGHFYNBFUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2/c1-17-6-5-11(16-17)19-7-9-8(12(18)15-13)3-2-4-10(9)14/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide has a molecular weight of 344.60 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide is sourced from PubChem (CID 147911483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).