N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide

C19H14Cl2FN3O — CID 168853786

IUPACN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccnn1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2FN3O/c20-15-7-6-14(18(21)10-15)11-25(12-17-5-2-8-23-24-17)19(26)13-3-1-4-16(22)9-13/h1-10H,11-12H2
InChIKeyJJIORXAKGCCBMJ-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.77
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide

N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 168853786) has the molecular formula C19H14Cl2FN3O and a molecular weight of 390.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID168853786
Molecular FormulaC19H14Cl2FN3O
Molecular Weight390.25 g/mol
Exact Mass389.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide
SMILESO=C(c1cccc(F)c1)N(Cc1cccnn1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2FN3O/c20-15-7-6-14(18(21)10-15)11-25(12-17-5-2-8-23-24-17)19(26)13-3-1-4-16(22)9-13/h1-10H,11-12H2
InChIKeyJJIORXAKGCCBMJ-UHFFFAOYSA-N
XLogP4.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide (CID 168853786) is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide is O=C(c1cccc(F)c1)N(Cc1cccnn1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is JJIORXAKGCCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O/c20-15-7-6-14(18(21)10-15)11-25(12-17-5-2-8-23-24-17)19(26)13-3-1-4-16(22)9-13/h1-10H,11-12H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide?
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 390.25 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).