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

C21H25ClN2O2 — CID 18438690

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nc1
InChIInChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)
InChIKeyIRBKAXRPDKBQAF-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.53
Rot. Bonds4

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

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 18438690) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID18438690
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nc1
InChIInChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25)
InChIKeyIRBKAXRPDKBQAF-UHFFFAOYSA-N
XLogP4.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.53
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-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (CID 18438690) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nc1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is IRBKAXRPDKBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-6-9-19(23-13-15)16-7-8-18(22)17(12-16)20(25)24-14-21(26)10-4-2-3-5-11-21/h6-9,12-13,26H,2-5,10-11,14H2,1H3,(H,24,25).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.53, 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-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 18438690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).