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

C14H16ClN3O2 — CID 157106420

IUPACN-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
SMILESCCc1cccc(C(=O)NCl)c1COc1ccn(C)n1
InChIInChI=1S/C14H16ClN3O2/c1-3-10-5-4-6-11(14(19)16-15)12(10)9-20-13-7-8-18(2)17-13/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyAGIUFOIVQSGCNN-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.45
Rot. Bonds5

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

N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide (PubChem CID 157106420) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
PubChem CID157106420
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
SMILESCCc1cccc(C(=O)NCl)c1COc1ccn(C)n1
InChIInChI=1S/C14H16ClN3O2/c1-3-10-5-4-6-11(14(19)16-15)12(10)9-20-13-7-8-18(2)17-13/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyAGIUFOIVQSGCNN-UHFFFAOYSA-N
XLogP2.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.45
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

N-chloro-3-ethyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzamide
CID 155217832
3-bromo-N-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 159230943
N-bromo-3-chloro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 147911483
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 160566932
3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoic acid
CID 126576153
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propylbenzamide
CID 126580039
N-chloro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzamide
CID 126579527
propyl 3-ethyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]benzoate
CID 155217951
N-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzamide
CID 157459494

Frequently Asked Questions

What is the IUPAC name of N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
The IUPAC name of N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide (CID 157106420) is N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide.
What is the SMILES notation for N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
The canonical SMILES for N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide is CCc1cccc(C(=O)NCl)c1COc1ccn(C)n1.
What is the InChIKey of N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
The InChIKey is AGIUFOIVQSGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-10-5-4-6-11(14(19)16-15)12(10)9-20-13-7-8-18(2)17-13/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide?
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide has a molecular weight of 293.75 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide is sourced from PubChem (CID 157106420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).