N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide

C15H21ClN2O — CID 81487183

IUPACN-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
SMILESNCC(NC(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,19)
InChIKeyGGFJEDXLPJHIJT-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.98
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide

N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide (PubChem CID 81487183) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
PubChem CID81487183
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
SMILESNCC(NC(=O)c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,19)
InChIKeyGGFJEDXLPJHIJT-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide (CID 81487183) is N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide is NCC(NC(=O)c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide?
The InChIKey is GGFJEDXLPJHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide?
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide has a molecular weight of 280.80 g/mol, XLogP of 2.98, 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-chlorobenzamide is sourced from PubChem (CID 81487183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).