N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H16ClN3O3 — CID 24575694

IUPACN-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCC1=O
InChIInChI=1S/C18H16ClN3O3/c1-22-17(23)11-10-15(21-22)18(24)20-12-6-8-13(9-7-12)25-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeyVPCMHMZWAQREQX-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24575694) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24575694
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCC1=O
InChIInChI=1S/C18H16ClN3O3/c1-22-17(23)11-10-15(21-22)18(24)20-12-6-8-13(9-7-12)25-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeyVPCMHMZWAQREQX-UHFFFAOYSA-N
XLogP3.68
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34802438
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55445766
N-[4-(2-chlorophenoxy)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18288988
2-methyl-2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 119254235
N-(4-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 945023
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30710454
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
N-[4-(2-chlorophenoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 30291841
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356
N,1-bis(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 15995625
N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 131921673

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24575694) is N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCC1=O.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VPCMHMZWAQREQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-22-17(23)11-10-15(21-22)18(24)20-12-6-8-13(9-7-12)25-16-5-3-2-4-14(16)19/h2-9H,10-11H2,1H3,(H,20,24).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24575694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).