4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide

C15H19ClN2O2 — CID 2986095

IUPAC4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H19ClN2O2/c16-12-8-6-11(7-9-12)15(20)17-10-14(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,20)(H,18,19)
InChIKeyUHRMEJWQHLZJKB-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.52
Rot. Bonds4

About 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide

4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide (PubChem CID 2986095) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
PubChem CID2986095
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)NC1CCCCC1
InChIInChI=1S/C15H19ClN2O2/c16-12-8-6-11(7-9-12)15(20)17-10-14(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,20)(H,18,19)
InChIKeyUHRMEJWQHLZJKB-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide (CID 2986095) is 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)NC1CCCCC1.
What is the InChIKey of 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide?
The InChIKey is UHRMEJWQHLZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-8-6-11(7-9-12)15(20)17-10-14(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,20)(H,18,19).
What are the key properties of 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide?
4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide has a molecular weight of 294.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 2986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).