N-(4-aminocyclohexyl)-2-chloroacetamide

C8H15ClN2O — CID 62318891

IUPACN-(4-aminocyclohexyl)-2-chloroacetamide
SMILESNC1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C8H15ClN2O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h6-7H,1-5,10H2,(H,11,12)
InChIKeyBJNMOAPZCIAWCS-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.61
Rot. Bonds2

About N-(4-aminocyclohexyl)-2-chloroacetamide

N-(4-aminocyclohexyl)-2-chloroacetamide (PubChem CID 62318891) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-chloroacetamide
PubChem CID62318891
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC NameN-(4-aminocyclohexyl)-2-chloroacetamide
SMILESNC1CCC(NC(=O)CCl)CC1
InChIInChI=1S/C8H15ClN2O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h6-7H,1-5,10H2,(H,11,12)
InChIKeyBJNMOAPZCIAWCS-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-aminocyclohexyl)-2-chloroacetamide 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

2-Chloro-N-cyclohexylacetamide
CID 222365
2-chloro-N-(heptan-2-yl)acetamide
CID 244074
2-chloro-N-cyclohexylpropanamide
CID 3613317
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
2,2,2-trichloro-N-cyclohexylacetamide
CID 306613
N-[4-(2,2-dichloroacetylamino)cyclohexyl]-2,2-dichloroacetamide
CID 897552
2-Chloro-N-(1-methylpiperidin-4-yl)acetamide
CID 43244059
2-chloro-N-(4,4-difluorocyclohexyl)acetamide
CID 66851735
n-(2-Chlorocyclohexyl)acetamide
CID 275737
N-[(1R,2R)-2-Chlorocyclohexyl]acetamide
CID 12663105
N-[(1S,2S)-2-chlorocyclohexyl]acetamide
CID 92163228
2,2,2-trichloro-N-[(1S,2S)-2-chlorocyclohexyl]acetamide
CID 134933928

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-chloroacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-chloroacetamide (CID 62318891) is N-(4-aminocyclohexyl)-2-chloroacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-chloroacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-chloroacetamide is NC1CCC(NC(=O)CCl)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-chloroacetamide?
The InChIKey is BJNMOAPZCIAWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c9-5-8(12)11-7-3-1-6(10)2-4-7/h6-7H,1-5,10H2,(H,11,12).
What are the key properties of N-(4-aminocyclohexyl)-2-chloroacetamide?
N-(4-aminocyclohexyl)-2-chloroacetamide has a molecular weight of 190.67 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-chloroacetamide is sourced from PubChem (CID 62318891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).