N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide

C12H20ClNO2 — CID 106243577

IUPACN-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCOCC(Cl)CCNC(=O)C1C2CCCC21
InChIInChI=1S/C12H20ClNO2/c1-16-7-8(13)5-6-14-12(15)11-9-3-2-4-10(9)11/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyFMVBXDSKEIDTIX-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.79
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 106243577) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID106243577
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCOCC(Cl)CCNC(=O)C1C2CCCC21
InChIInChI=1S/C12H20ClNO2/c1-16-7-8(13)5-6-14-12(15)11-9-3-2-4-10(9)11/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyFMVBXDSKEIDTIX-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide 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-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-[2-(2-methoxyethylamino)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 82993999
N-(3-chloro-4-methoxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106243658
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-(3-chloro-4-methoxybutyl)cyclopentanamine
CID 106242445
N-(3-chloro-4-methoxybutyl)-2-methylbutanamide
CID 106244043
N-(3-chloro-4-methoxybutyl)-1-methylcyclohexane-1-carboxamide
CID 106244255
N-(3-chloro-4-methoxybutyl)-2-(thian-4-yl)acetamide
CID 106244228
N-(3-chloro-4-methoxybutyl)-2-phenylcyclopropane-1-carboxamide
CID 106244224
N-(1-amino-3-methoxypropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106180519

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 106243577) is N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide is COCC(Cl)CCNC(=O)C1C2CCCC21.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FMVBXDSKEIDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-16-7-8(13)5-6-14-12(15)11-9-3-2-4-10(9)11/h8-11H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 245.75 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 106243577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).