2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide

C14H14ClN3O — CID 110737958

IUPAC2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C14H14ClN3O/c1-10-5-6-13(18-17-10)9-16-14(19)8-11-3-2-4-12(15)7-11/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyXMVDBDYOEJUJPX-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.30
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide

2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide (PubChem CID 110737958) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
PubChem CID110737958
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2cccc(Cl)c2)nn1
InChIInChI=1S/C14H14ClN3O/c1-10-5-6-13(18-17-10)9-16-14(19)8-11-3-2-4-12(15)7-11/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyXMVDBDYOEJUJPX-UHFFFAOYSA-N
XLogP2.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737950
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
CID 130901261
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
4-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919717
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
N-[(3-chlorophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2107721
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide (CID 110737958) is 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2cccc(Cl)c2)nn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
The InChIKey is XMVDBDYOEJUJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-5-6-13(18-17-10)9-16-14(19)8-11-3-2-4-12(15)7-11/h2-7H,8-9H2,1H3,(H,16,19).
What are the key properties of 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide has a molecular weight of 275.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 110737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).