N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide

C12H22ClNO — CID 114303618

IUPACN-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
SMILESCCC(C)(CCl)NC(=O)C1CCCCC1
InChIInChI=1S/C12H22ClNO/c1-3-12(2,9-13)14-11(15)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyNFXNMOLNDBFNJG-UHFFFAOYSA-N
MW231.77 g/mol
LogP3.09
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide

N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide (PubChem CID 114303618) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
PubChem CID114303618
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
SMILESCCC(C)(CCl)NC(=O)C1CCCCC1
InChIInChI=1S/C12H22ClNO/c1-3-12(2,9-13)14-11(15)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyNFXNMOLNDBFNJG-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide 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)cyclopropanecarboxamide
CID 114303630
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(1-bromo-2-methylbutan-2-yl)cyclopentanecarboxamide
CID 114314310
N-(1-chloro-3-methylpentan-3-yl)cyclobutanecarboxamide
CID 106168508
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
CID 120532492
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
CID 108571121
N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829007

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide (CID 114303618) is N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide is CCC(C)(CCl)NC(=O)C1CCCCC1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide?
The InChIKey is NFXNMOLNDBFNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-3-12(2,9-13)14-11(15)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide?
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide has a molecular weight of 231.77 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 114303618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).