N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide

C15H19ClN2O2 — CID 46451340

IUPACN-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C15H19ClN2O2/c1-11(19)17-8-9-18-14(20)15(6-3-7-15)12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyNQXZFULTNKCGHH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.01
Rot. Bonds5

About N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide

N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide (PubChem CID 46451340) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
PubChem CID46451340
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
SMILESCC(=O)NCCNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C15H19ClN2O2/c1-11(19)17-8-9-18-14(20)15(6-3-7-15)12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyNQXZFULTNKCGHH-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-(3-chlorophenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]cyclopentane-1-carboxamide
CID 47088064
1-(3-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxamide
CID 86950652
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide (CID 46451340) is N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide is CC(=O)NCCNC(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide?
The InChIKey is NQXZFULTNKCGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(19)17-8-9-18-14(20)15(6-3-7-15)12-4-2-5-13(16)10-12/h2,4-5,10H,3,6-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide?
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 46451340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).