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

C20H22ClFN2O2 — CID 46887518

IUPAC2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(F)cn2)ccc1Cl
InChIInChI=1S/C20H22ClFN2O2/c21-17-7-5-14(18-8-6-15(22)12-23-18)11-16(17)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)
InChIKeyNZAHMXCZCUYJQD-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.36
Rot. Bonds4

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

2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 46887518) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID46887518
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(F)cn2)ccc1Cl
InChIInChI=1S/C20H22ClFN2O2/c21-17-7-5-14(18-8-6-15(22)12-23-18)11-16(17)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)
InChIKeyNZAHMXCZCUYJQD-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 11749459
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(1-methylpyrazol-3-yl)benzamide
CID 18438679
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(2-methylpyrazol-3-yl)benzamide
CID 18438683
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-methylpyridin-2-yl)benzamide
CID 18438690
2-chloro-N-[(1-hydroxy-3,3-dimethylcyclohexyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45267968
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(pyridin-2-yl)benzamide
CID 46887477
2-chloro-5-(5-cyanopyridin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
CID 46887515
2-chloro-5-(6-cyanopyridin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
CID 46887516
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-(hydroxymethyl)pyridin-2-yl)benzamide
CID 46887517
2-chloro-5-(5-chloropyridin-2-yl)-N-((1-hydroxycycloheptyl)methyl)benzamide
CID 46887560
2-chloro-N-((1-hydroxycycloheptyl)methyl)-5-(5-methylpyrazin-2-yl)benzamide
CID 46887562
(3-Chloro-4-fluorophenyl)(4-hydroxy-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 49780603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 46887518) is 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(F)cn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is NZAHMXCZCUYJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c21-17-7-5-14(18-8-6-15(22)12-23-18)11-16(17)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-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
2-chloro-5-(5-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 376.86 g/mol, XLogP of 4.36, 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-fluoro-2-pyridinyl)-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 46887518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).