N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide

C15H19ClN2O2 — CID 113059565

IUPACN-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-11(19)18(14-7-3-6-13(16)10-14)9-8-17-15(20)12-4-2-5-12/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,17,20)
InChIKeyCKFLBASLGKWJCH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide

N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide (PubChem CID 113059565) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
PubChem CID113059565
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-11(19)18(14-7-3-6-13(16)10-14)9-8-17-15(20)12-4-2-5-12/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,17,20)
InChIKeyCKFLBASLGKWJCH-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076
N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide (CID 113059565) is N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide is CC(=O)N(CCNC(=O)C1CCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide?
The InChIKey is CKFLBASLGKWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(19)18(14-7-3-6-13(16)10-14)9-8-17-15(20)12-4-2-5-12/h3,6-7,10,12H,2,4-5,8-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide?
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113059565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).