N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide

C11H20ClNO — CID 114306556

IUPACN-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide
SMILESCCC(CCCl)CNC(=O)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-2-9(6-7-12)8-13-11(14)10-4-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyJZVNTGVRQOYBEE-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.56
Rot. Bonds6

About N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide

N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide (PubChem CID 114306556) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide
PubChem CID114306556
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide
SMILESCCC(CCCl)CNC(=O)C1CCC1
InChIInChI=1S/C11H20ClNO/c1-2-9(6-7-12)8-13-11(14)10-4-3-5-10/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyJZVNTGVRQOYBEE-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
CID 106117502
(3R)-N-(2-ethylhexyl)piperidine-3-carboxamide
CID 81141050
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053
N-[2-(2-chloroethyl)pentyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106117756
N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226716
N-[2-(2-aminoethyl)pentyl]cyclopentanecarboxamide
CID 106116208
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
3-N-(2-ethylbutyl)piperidine-1,3-dicarboxamide
CID 115612806
N-(chloromethyl)cyclobutanecarboxamide
CID 69083699
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-(2-amino-3-ethylpentyl)cyclopentanecarboxamide
CID 106285963

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide?
The IUPAC name of N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide (CID 114306556) is N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide is CCC(CCCl)CNC(=O)C1CCC1.
What is the InChIKey of N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide?
The InChIKey is JZVNTGVRQOYBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-9(6-7-12)8-13-11(14)10-4-3-5-10/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide?
N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide has a molecular weight of 217.74 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethylbutyl)cyclobutanecarboxamide is sourced from PubChem (CID 114306556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).