N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide

C11H20ClNO — CID 63391533

IUPACN-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
SMILESCCCCN(CCCl)C(=O)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-2-3-8-13(9-7-12)11(14)10-5-4-6-10/h10H,2-9H2,1H3
InChIKeyRBVJSEIDNBBEKK-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.65
Rot. Bonds6

About N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide

N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide (PubChem CID 63391533) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
PubChem CID63391533
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-butyl-N-(2-chloroethyl)cyclobutanecarboxamide
SMILESCCCCN(CCCl)C(=O)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-2-3-8-13(9-7-12)11(14)10-5-4-6-10/h10H,2-9H2,1H3
InChIKeyRBVJSEIDNBBEKK-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(2-aminoethyl)-N-butylcyclooctanecarboxamide
CID 65020868
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
N,N-dibutylpiperidine-3-carboxamide;hydrochloride
CID 119262431
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
4-amino-N,N-dipentylcyclohexane-1-carboxamide
CID 60947028
N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N,N-dihexylpiperidine-4-carboxamide
CID 60947458
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide (CID 63391533) is N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide is CCCCN(CCCl)C(=O)C1CCC1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide?
The InChIKey is RBVJSEIDNBBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-3-8-13(9-7-12)11(14)10-5-4-6-10/h10H,2-9H2,1H3.
What are the key properties of N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide?
N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide has a molecular weight of 217.74 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)cyclobutanecarboxamide is sourced from PubChem (CID 63391533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).