N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide

C15H20Cl2N2O — CID 81486899

IUPACN-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
SMILESNCC(NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20Cl2N2O/c16-12-7-6-11(8-13(12)17)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20)
InChIKeyOKEZWMJEIZWSQC-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.63
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide

N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide (PubChem CID 81486899) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
PubChem CID81486899
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
SMILESNCC(NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C15H20Cl2N2O/c16-12-7-6-11(8-13(12)17)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20)
InChIKeyOKEZWMJEIZWSQC-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-bromo-4-chlorobenzamide
CID 114024784
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119591807
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
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CID 81486901

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide (CID 81486899) is N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide is NCC(NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide?
The InChIKey is OKEZWMJEIZWSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-12-7-6-11(8-13(12)17)15(20)19-14(9-18)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide?
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide has a molecular weight of 315.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 81486899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).