N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide

C16H23ClN2O — CID 106862320

IUPACN-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-7-8-13(14(17)9-11)16(20)19-15(10-18)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10,18H2,1H3,(H,19,20)
InChIKeyNAUPEMIYFWTUOP-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.29
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide

N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide (PubChem CID 106862320) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
PubChem CID106862320
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CN)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-7-8-13(14(17)9-11)16(20)19-15(10-18)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10,18H2,1H3,(H,19,20)
InChIKeyNAUPEMIYFWTUOP-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-hydroxybenzamide
CID 106737241
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(1-cyclohexylpropyl)-2-hydroxy-4-methylbenzamide
CID 63527141
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methylbenzamide
CID 82883177
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide (CID 106862320) is N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NC(CN)C2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide?
The InChIKey is NAUPEMIYFWTUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-7-8-13(14(17)9-11)16(20)19-15(10-18)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide?
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.29, 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)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106862320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).