3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide

C15H19ClN2O2 — CID 155551488

IUPAC3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide
SMILESNC(=O)CCNC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H19ClN2O2/c16-12-6-2-1-5-11(12)15(18-10-8-14(17)20)9-4-3-7-13(15)19/h1-2,5-6,18H,3-4,7-10H2,(H2,17,20)
InChIKeyJISVAGFBGYTCKB-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.14
Rot. Bonds5

About 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide

3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide (PubChem CID 155551488) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide.

Molecular Properties

Compound Name3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide
PubChem CID155551488
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide
SMILESNC(=O)CCNC1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H19ClN2O2/c16-12-6-2-1-5-11(12)15(18-10-8-14(17)20)9-4-3-7-13(15)19/h1-2,5-6,18H,3-4,7-10H2,(H2,17,20)
InChIKeyJISVAGFBGYTCKB-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide?
The IUPAC name of 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide (CID 155551488) is 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide.
What is the SMILES notation for 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide?
The canonical SMILES for 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide is NC(=O)CCNC1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide?
The InChIKey is JISVAGFBGYTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-6-2-1-5-11(12)15(18-10-8-14(17)20)9-4-3-7-13(15)19/h1-2,5-6,18H,3-4,7-10H2,(H2,17,20).
What are the key properties of 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide?
3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide has a molecular weight of 294.78 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]propanamide is sourced from PubChem (CID 155551488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).