N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide

C9H16ClNO2 — CID 114299025

IUPACN-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
SMILESCOCC(Cl)CNC(=O)C1CCC1
InChIInChI=1S/C9H16ClNO2/c1-13-6-8(10)5-11-9(12)7-3-2-4-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyKLBILASXTDJGAH-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.16
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide

N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide (PubChem CID 114299025) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
PubChem CID114299025
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
SMILESCOCC(Cl)CNC(=O)C1CCC1
InChIInChI=1S/C9H16ClNO2/c1-13-6-8(10)5-11-9(12)7-3-2-4-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyKLBILASXTDJGAH-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-chloro-3-methoxypropyl)thiane-2-carboxamide
CID 114298861
N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide
CID 114298835
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560
methyl 2-bromo-3-(cyclooctanecarbonylamino)propanoate
CID 103492357
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106243577
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
(3R)-N-(3-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 81140932
4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
CID 114100069
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide (CID 114299025) is N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide is COCC(Cl)CNC(=O)C1CCC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide?
The InChIKey is KLBILASXTDJGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-13-6-8(10)5-11-9(12)7-3-2-4-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide?
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide has a molecular weight of 205.68 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide is sourced from PubChem (CID 114299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).