N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide

C13H15ClN2O2 — CID 112997859

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESO=C(CNC(=O)C1CCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c14-10-5-2-6-11(7-10)16-12(17)8-15-13(18)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H,15,18)(H,16,17)
InChIKeyWKDURQVZTOOHHN-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide

N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 112997859) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
PubChem CID112997859
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESO=C(CNC(=O)C1CCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O2/c14-10-5-2-6-11(7-10)16-12(17)8-15-13(18)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H,15,18)(H,16,17)
InChIKeyWKDURQVZTOOHHN-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-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
N-[4-(3-chloroanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 39887824
3-[3-[[2-(cyclohexanecarbonylamino)acetyl]amino]phenyl]propanoic acid
CID 120613844
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 86940159

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide (CID 112997859) is N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide is O=C(CNC(=O)C1CCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is WKDURQVZTOOHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-5-2-6-11(7-10)16-12(17)8-15-13(18)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide?
N-[2-(3-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-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112997859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).