2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide

C20H24ClN3O3 — CID 18438692

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1
InChIInChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
InChIKeyAEMWRIGKOGGMDH-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.62
Rot. Bonds5

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 18438692) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide
PubChem CID18438692
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1
InChIInChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25)
InChIKeyAEMWRIGKOGGMDH-UHFFFAOYSA-N
XLogP3.62
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-methoxypyridin-2-yl)benzamide
CID 46887514
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(6-methylpyridazin-3-yl)benzamide
CID 46887561
2-chloro-N-[2-(4-fluorophenyl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800894
2-chloro-4-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 134801208
2-chloro-N-(2,2-difluoroethyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801412
2-chloro-N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801867
2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134801938
2-chloro-N-[(4-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134802160
2-chloro-4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 134802548
2-chloro-N-[(3-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134802946
2-chloro-N-[(2,4-difluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134803383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide (CID 18438692) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is AEMWRIGKOGGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-27-18-9-8-17(23-24-18)14-6-7-16(21)15(12-14)19(25)22-13-20(26)10-4-2-3-5-11-20/h6-9,12,26H,2-5,10-11,13H2,1H3,(H,22,25).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 389.88 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 18438692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).