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

C20H24ClN3O2 — CID 46887561

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1
InChIInChI=1S/C20H24ClN3O2/c1-14-6-9-18(24-23-14)15-7-8-17(21)16(12-15)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)
InChIKeyRVHUTADMAUFBCK-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.92
Rot. Bonds4

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

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide (PubChem CID 46887561) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide
PubChem CID46887561
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1
InChIInChI=1S/C20H24ClN3O2/c1-14-6-9-18(24-23-14)15-7-8-17(21)16(12-15)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)
InChIKeyRVHUTADMAUFBCK-UHFFFAOYSA-N
XLogP3.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide (CID 46887561) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nn1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is RVHUTADMAUFBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-6-9-18(24-23-14)15-7-8-17(21)16(12-15)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-methylpyridazin-3-yl)benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 46887561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).