N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide

C14H14ClN3O2 — CID 104672631

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnnc2)cc1CCl
InChIInChI=1S/C14H14ClN3O2/c1-2-20-13-4-3-12(7-11(13)8-15)18-14(19)10-5-6-16-17-9-10/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyFWDJHVKVDYUKNG-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.87
Rot. Bonds5

About N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide

N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide (PubChem CID 104672631) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
PubChem CID104672631
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnnc2)cc1CCl
InChIInChI=1S/C14H14ClN3O2/c1-2-20-13-4-3-12(7-11(13)8-15)18-14(19)10-5-6-16-17-9-10/h3-7,9H,2,8H2,1H3,(H,18,19)
InChIKeyFWDJHVKVDYUKNG-UHFFFAOYSA-N
XLogP2.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 114302940
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
CID 106754238
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
CID 114302970
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[3-(chloromethyl)-4-ethoxyphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003246

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide (CID 104672631) is N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnnc2)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide?
The InChIKey is FWDJHVKVDYUKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-20-13-4-3-12(7-11(13)8-15)18-14(19)10-5-6-16-17-9-10/h3-7,9H,2,8H2,1H3,(H,18,19).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide?
N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104672631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).