N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide

C13H15ClN2O2 — CID 112997775

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESO=C(CNC(=O)C1CCC1)Nc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-10-6-1-2-7-11(10)16-12(17)8-15-13(18)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,15,18)(H,16,17)
InChIKeyUFRXYQYREDREPC-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 112997775) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
PubChem CID112997775
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESO=C(CNC(=O)C1CCC1)Nc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2/c14-10-6-1-2-7-11(10)16-12(17)8-15-13(18)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,15,18)(H,16,17)
InChIKeyUFRXYQYREDREPC-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-[2-(2,3-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001519
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
N-(2-chlorophenyl)-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317886
N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide (CID 112997775) is N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide is O=C(CNC(=O)C1CCC1)Nc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is UFRXYQYREDREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-6-1-2-7-11(10)16-12(17)8-15-13(18)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112997775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).