2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide

C20H22Cl2N2O2 — CID 46887560

IUPAC2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(Cl)cn2)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c21-15-6-8-18(23-12-15)14-5-7-17(22)16(11-14)19(25)24-13-20(26)9-3-1-2-4-10-20/h5-8,11-12,26H,1-4,9-10,13H2,(H,24,25)
InChIKeyVMSHSVUVIPSEEU-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.87
Rot. Bonds4

About 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide

2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 46887560) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID46887560
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(Cl)cn2)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c21-15-6-8-18(23-12-15)14-5-7-17(22)16(11-14)19(25)24-13-20(26)9-3-1-2-4-10-20/h5-8,11-12,26H,1-4,9-10,13H2,(H,24,25)
InChIKeyVMSHSVUVIPSEEU-UHFFFAOYSA-N
XLogP4.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 46887560) is 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(Cl)cn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is VMSHSVUVIPSEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-15-6-8-18(23-12-15)14-5-7-17(22)16(11-14)19(25)24-13-20(26)9-3-1-2-4-10-20/h5-8,11-12,26H,1-4,9-10,13H2,(H,24,25).
What are the key properties of 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 393.31 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-chloro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 46887560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).