N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide

C17H25ClN2O — CID 114457040

IUPACN-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)CC1CCCCCC1
InChIInChI=1S/C17H25ClN2O/c1-20(12-14-11-15(19)8-9-16(14)18)17(21)10-13-6-4-2-3-5-7-13/h8-9,11,13H,2-7,10,12,19H2,1H3
InChIKeyOTRFOKLAOOBKDA-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.24
Rot. Bonds4

About N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide

N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide (PubChem CID 114457040) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
PubChem CID114457040
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
SMILESCN(Cc1cc(N)ccc1Cl)C(=O)CC1CCCCCC1
InChIInChI=1S/C17H25ClN2O/c1-20(12-14-11-15(19)8-9-16(14)18)17(21)10-13-6-4-2-3-5-7-13/h8-9,11,13H,2-7,10,12,19H2,1H3
InChIKeyOTRFOKLAOOBKDA-UHFFFAOYSA-N
XLogP4.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide 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-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-[(5-amino-2-chlorophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 106826067
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363949
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668
N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
4-chloro-3-[[cyclopropyl(methyl)amino]methyl]aniline
CID 43264518
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide (CID 114457040) is N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide is CN(Cc1cc(N)ccc1Cl)C(=O)CC1CCCCCC1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
The InChIKey is OTRFOKLAOOBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-20(12-14-11-15(19)8-9-16(14)18)17(21)10-13-6-4-2-3-5-7-13/h8-9,11,13H,2-7,10,12,19H2,1H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide?
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide has a molecular weight of 308.85 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 114457040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).