N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide

C15H19ClN2O2 — CID 800336

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,20)(H,18,19)
InChIKeyQETSDJNFIAUZKZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 800336) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID800336
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c16-12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,20)(H,18,19)
InChIKeyQETSDJNFIAUZKZ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide (CID 800336) is N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is QETSDJNFIAUZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-6-8-13(9-7-12)18-14(19)10-17-15(20)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 800336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).