N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide

C11H20ClNO — CID 106168508

IUPACN-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
SMILESCCC(C)(CCCl)NC(=O)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-3-11(2,7-8-12)13-10(14)9-5-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyXAYVIPIVFPMJAQ-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide

N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide (PubChem CID 106168508) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
PubChem CID106168508
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
SMILESCCC(C)(CCCl)NC(=O)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-3-11(2,7-8-12)13-10(14)9-5-4-6-9/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyXAYVIPIVFPMJAQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloro-3-methylpentan-3-yl)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-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-chloro-3-methylpentan-3-yl)oxolane-3-carboxamide
CID 106168106
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-chloro-3-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114153050
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(1-bromo-3-methylpentan-3-yl)oxane-4-carboxamide
CID 106169351
N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 106169068
cis-(1S,2R)-2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106167862
N-(4-hydroxy-2-methylbutan-2-yl)cyclobutanecarboxamide
CID 115869890

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide (CID 106168508) is N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide is CCC(C)(CCCl)NC(=O)C1CCC1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide?
The InChIKey is XAYVIPIVFPMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-11(2,7-8-12)13-10(14)9-5-4-6-9/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide?
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 106168508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).