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

C19H22ClN3O3 — CID 11199715

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl
InChIInChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24)
InChIKeyVWEPNTVYMUTNBW-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.91
Rot. Bonds4

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

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 11199715) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID11199715
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl
InChIInChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24)
InChIKeyVWEPNTVYMUTNBW-UHFFFAOYSA-N
XLogP2.91
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.91
H-Bond Donors ≤ 53
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-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 11199715) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(=O)[nH]n2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is VWEPNTVYMUTNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-15-6-5-13(16-7-8-17(24)23-22-16)11-14(15)18(25)21-12-19(26)9-3-1-2-4-10-19/h5-8,11,26H,1-4,9-10,12H2,(H,21,25)(H,23,24).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 375.86 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 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-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 11199715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).