3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide

C19H20ClN3O2 — CID 71561317

IUPAC3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-3,5,7,9-11,14,16H,4,6,8,12H2,(H,22,24)(H,21,23,25)/t14-,16-/m1/s1
InChIKeyMITKFNVRPAFJDS-GDBMZVCRSA-N
MW357.84 g/mol
LogP3.66
Rot. Bonds4

About 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide

3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide (PubChem CID 71561317) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide
PubChem CID71561317
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-3,5,7,9-11,14,16H,4,6,8,12H2,(H,22,24)(H,21,23,25)/t14-,16-/m1/s1
InChIKeyMITKFNVRPAFJDS-GDBMZVCRSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide (CID 71561317) is 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide is O=C(N[C@@H]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is MITKFNVRPAFJDS-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-7-3-5-13(11-15)18(24)22-16-8-4-6-14(12-16)19(25)23-17-9-1-2-10-21-17/h1-3,5,7,9-11,14,16H,4,6,8,12H2,(H,22,24)(H,21,23,25)/t14-,16-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide?
3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 357.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,3R)-3-(pyridin-2-ylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 71561317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).