N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide

C13H22ClNO — CID 114459153

IUPACN-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1(CCl)CC1
InChIInChI=1S/C13H22ClNO/c14-10-13(7-8-13)15-12(16)9-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,15,16)
InChIKeyVSUQHPSKMOKZRW-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide

N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide (PubChem CID 114459153) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
PubChem CID114459153
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)NC1(CCl)CC1
InChIInChI=1S/C13H22ClNO/c14-10-13(7-8-13)15-12(16)9-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,15,16)
InChIKeyVSUQHPSKMOKZRW-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide 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-(chloromethyl)cyclopentyl]-2-cycloheptylacetamide
CID 114459061
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[4-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide?
The IUPAC name of N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide (CID 114459153) is N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)NC1(CCl)CC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide?
The InChIKey is VSUQHPSKMOKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-10-13(7-8-13)15-12(16)9-11-5-3-1-2-4-6-11/h11H,1-10H2,(H,15,16).
What are the key properties of N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide?
N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide has a molecular weight of 243.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide is sourced from PubChem (CID 114459153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).