N-(2-aminocyclohexyl)-2,4-dichlorobenzamide

C13H16Cl2N2O — CID 54905526

IUPACN-(2-aminocyclohexyl)-2,4-dichlorobenzamide
SMILESNC1CCCCC1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-8-5-6-9(10(15)7-8)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)
InChIKeyLMAFNHLWTIWLCB-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.99
Rot. Bonds2

About N-(2-aminocyclohexyl)-2,4-dichlorobenzamide

N-(2-aminocyclohexyl)-2,4-dichlorobenzamide (PubChem CID 54905526) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2,4-dichlorobenzamide
PubChem CID54905526
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(2-aminocyclohexyl)-2,4-dichlorobenzamide
SMILESNC1CCCCC1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-8-5-6-9(10(15)7-8)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)
InChIKeyLMAFNHLWTIWLCB-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
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N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-(2-aminocyclopentyl)-2,4-difluorobenzamide
CID 55169899
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-2,4-dichlorobenzamide (CID 54905526) is N-(2-aminocyclohexyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2,4-dichlorobenzamide is NC1CCCCC1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-aminocyclohexyl)-2,4-dichlorobenzamide?
The InChIKey is LMAFNHLWTIWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-8-5-6-9(10(15)7-8)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18).
What are the key properties of N-(2-aminocyclohexyl)-2,4-dichlorobenzamide?
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide has a molecular weight of 287.19 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 54905526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).