2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

C19H14ClF2N3O2 — CID 134803383

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3F)c(Cl)c2)nn1
InChIInChI=1S/C19H14ClF2N3O2/c1-27-18-7-6-17(24-25-18)11-3-5-14(15(20)8-11)19(26)23-10-12-2-4-13(21)9-16(12)22/h2-9H,10H2,1H3,(H,23,26)
InChIKeyMSHHQZLKBIYICF-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.01
Rot. Bonds5

About 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134803383) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134803383
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3F)c(Cl)c2)nn1
InChIInChI=1S/C19H14ClF2N3O2/c1-27-18-7-6-17(24-25-18)11-3-5-14(15(20)8-11)19(26)23-10-12-2-4-13(21)9-16(12)22/h2-9H,10H2,1H3,(H,23,26)
InChIKeyMSHHQZLKBIYICF-UHFFFAOYSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438692
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
3-chloro-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)benzamide
CID 41527647
5-chloro-N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-methoxybenzamide
CID 41527736
N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800715
2-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 134800732
[4-(6-Methoxypyridazin-3-yl)phenyl]-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 134800809
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800856

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (CID 134803383) is 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)NCc3ccc(F)cc3F)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is MSHHQZLKBIYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-27-18-7-6-17(24-25-18)11-3-5-14(15(20)8-11)19(26)23-10-12-2-4-13(21)9-16(12)22/h2-9H,10H2,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 389.79 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134803383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).