N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide

C13H16ClNO — CID 2918269

IUPACN-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16)
InChIKeyDCQBZNRMJYVJON-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide

N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide (PubChem CID 2918269) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide
PubChem CID2918269
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16)
InChIKeyDCQBZNRMJYVJON-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 449402
CID 449402
CID 153847
CID 153847
CID 11527333
CID 11527333
CID 11232124
CID 11232124
CID 23550315
CID 23550315
CID 23550324
CID 23550324
CID 23550325
CID 23550325
CID 44288646
CID 44288646
CID 885659
CID 885659
CID 2218154
CID 2218154
CID 2290457
CID 2290457
CID 669768
CID 669768

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide (CID 2918269) is N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is DCQBZNRMJYVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide?
N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 237.73 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 2918269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).