N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide

C14H18Cl2N2O — CID 54195832

IUPACN-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N
InChIInChI=1S/C14H18Cl2N2O/c1-18(13-5-3-2-4-12(13)17)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13H,2-5,17H2,1H3
InChIKeyPLSITOMJRRPKDL-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.34
Rot. Bonds2

About N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide

N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide (PubChem CID 54195832) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
PubChem CID54195832
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N
InChIInChI=1S/C14H18Cl2N2O/c1-18(13-5-3-2-4-12(13)17)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13H,2-5,17H2,1H3
InChIKeyPLSITOMJRRPKDL-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide 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

3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
CID 23349811
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
CID 154562211
N-[(1R,2R)-2-(but-3-enylamino)cyclohexyl]-3,4-dichloro-N-methylbenzamide
CID 88782199
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[(1S,2S)-2-aminocyclohexyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
CID 162368542
N-(2-aminocyclohexyl)-2-hydroxy-N-methylbenzamide
CID 102639040
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide (CID 54195832) is N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide?
The InChIKey is PLSITOMJRRPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(13-5-3-2-4-12(13)17)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13H,2-5,17H2,1H3.
What are the key properties of N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide?
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide has a molecular weight of 301.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 54195832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).