2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide

C17H11Cl2N3O — CID 13206641

IUPAC2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N3O/c18-12-6-7-15(16(19)10-12)17(23)21-13-8-9-22(20-11-13)14-4-2-1-3-5-14/h1-11H/b21-13-
InChIKeyWDMDCTGQQVOKEJ-BKUYFWCQSA-N
MW344.20 g/mol
LogP3.92
Rot. Bonds2

About 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide

2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide (PubChem CID 13206641) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
PubChem CID13206641
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC Name2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2N3O/c18-12-6-7-15(16(19)10-12)17(23)21-13-8-9-22(20-11-13)14-4-2-1-3-5-14/h1-11H/b21-13-
InChIKeyWDMDCTGQQVOKEJ-BKUYFWCQSA-N
XLogP3.92
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
CID 139593811
1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
CID 150642203
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
2,4-dichloro-N-methylidenebenzamide
CID 70837657
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
2,4-dichloro-N-(3-propan-2-yl-1,3-thiazetidin-2-ylidene)benzamide
CID 14867417
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide (CID 13206641) is 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide is O=C(/N=c1/ccn(-c2ccccc2)nc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The InChIKey is WDMDCTGQQVOKEJ-BKUYFWCQSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c18-12-6-7-15(16(19)10-12)17(23)21-13-8-9-22(20-11-13)14-4-2-1-3-5-14/h1-11H/b21-13-.
What are the key properties of 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide has a molecular weight of 344.20 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide is sourced from PubChem (CID 13206641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).