2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide

C20H23ClN2O2 — CID 46887477

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C20H23ClN2O2/c21-17-9-8-15(18-7-3-6-12-22-18)13-16(17)19(24)23-14-20(25)10-4-1-2-5-11-20/h3,6-9,12-13,25H,1-2,4-5,10-11,14H2,(H,23,24)
InChIKeyGKCWCLHXKQQJNL-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.22
Rot. Bonds4

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide (PubChem CID 46887477) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide
PubChem CID46887477
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cc(-c2ccccn2)ccc1Cl
InChIInChI=1S/C20H23ClN2O2/c21-17-9-8-15(18-7-3-6-12-22-18)13-16(17)19(24)23-14-20(25)10-4-1-2-5-11-20/h3,6-9,12-13,25H,1-2,4-5,10-11,14H2,(H,23,24)
InChIKeyGKCWCLHXKQQJNL-UHFFFAOYSA-N
XLogP4.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide (CID 46887477) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide is O=C(NCC1(O)CCCCCC1)c1cc(-c2ccccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide?
The InChIKey is GKCWCLHXKQQJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-17-9-8-15(18-7-3-6-12-22-18)13-16(17)19(24)23-14-20(25)10-4-1-2-5-11-20/h3,6-9,12-13,25H,1-2,4-5,10-11,14H2,(H,23,24).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide has a molecular weight of 358.87 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-pyridin-2-ylbenzamide is sourced from PubChem (CID 46887477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).