3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide

C17H12ClN3O — CID 13206639

IUPAC3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O/c18-14-6-4-5-13(11-14)17(22)20-15-9-10-21(19-12-15)16-7-2-1-3-8-16/h1-12H/b20-15-
InChIKeyBCZGPYUCLZDCCD-HKWRFOASSA-N
MW309.76 g/mol
LogP3.27
Rot. Bonds2

About 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide

3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide (PubChem CID 13206639) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
PubChem CID13206639
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide
SMILESO=C(/N=c1/ccn(-c2ccccc2)nc1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O/c18-14-6-4-5-13(11-14)17(22)20-15-9-10-21(19-12-15)16-7-2-1-3-8-16/h1-12H/b20-15-
InChIKeyBCZGPYUCLZDCCD-HKWRFOASSA-N
XLogP3.27
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
4-fluoro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206636
1-(4-chlorophenyl)-3-(1-phenylpyridazin-4-ylidene)urea
CID 54424116
N-(1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246433
S-propan-2-yl N-(1-phenylpyridazin-4-ylidene)carbamothioate
CID 54008116
1-(1-phenylpyridazin-4-ylidene)-3-propylurea
CID 54236103
[(1-phenylpyridazin-4-ylidene)amino] 2-methylprop-2-enoate
CID 150642203
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
[(E)-but-2-enyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 70392936
1-ethyl-3-(1-phenylpyridazin-4-ylidene)thiourea
CID 54405070
2-(2,5-dimethoxyphenyl)-N-(1-phenylpyridazin-4-ylidene)acetamide
CID 70482716
3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The IUPAC name of 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide (CID 13206639) is 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide.
What is the SMILES notation for 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The canonical SMILES for 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide is O=C(/N=c1/ccn(-c2ccccc2)nc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
The InChIKey is BCZGPYUCLZDCCD-HKWRFOASSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-14-6-4-5-13(11-14)17(22)20-15-9-10-21(19-12-15)16-7-2-1-3-8-16/h1-12H/b20-15-.
What are the key properties of 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide?
3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide has a molecular weight of 309.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-phenylpyridazin-4-ylidene)benzamide is sourced from PubChem (CID 13206639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).