N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

C25H21ClN4O — CID 46320705

IUPACN-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)nn2)c1
InChIInChI=1S/C25H21ClN4O/c1-17-3-2-4-20(15-17)23-13-14-24(30-29-23)28-22-11-7-19(8-12-22)25(31)27-16-18-5-9-21(26)10-6-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyKDFJTSMBLUGCRF-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.78
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46320705) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46320705
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)nn2)c1
InChIInChI=1S/C25H21ClN4O/c1-17-3-2-4-20(15-17)23-13-14-24(30-29-23)28-22-11-7-19(8-12-22)25(31)27-16-18-5-9-21(26)10-6-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30)
InChIKeyKDFJTSMBLUGCRF-UHFFFAOYSA-N
XLogP5.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320713
N-[(4-chlorophenyl)methyl]-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322466
N-[(4-bromophenyl)methyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320750
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
4-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 46320731
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46320705) is N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is Cc1cccc(-c2ccc(Nc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)nn2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is KDFJTSMBLUGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c1-17-3-2-4-20(15-17)23-13-14-24(30-29-23)28-22-11-7-19(8-12-22)25(31)27-16-18-5-9-21(26)10-6-18/h2-15H,16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 428.92 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46320705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).