N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide

C15H20ClN3O3 — CID 119589272

IUPACN-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide
SMILESNCC(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C15H20ClN3O3/c16-12-6-11(7-13(8-12)19(21)22)15(20)18-14(9-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2,(H,18,20)
InChIKeyCWUPYLWFZIOGMV-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.89
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide

N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide (PubChem CID 119589272) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide
PubChem CID119589272
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide
SMILESNCC(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1
InChIInChI=1S/C15H20ClN3O3/c16-12-6-11(7-13(8-12)19(21)22)15(20)18-14(9-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2,(H,18,20)
InChIKeyCWUPYLWFZIOGMV-UHFFFAOYSA-N
XLogP2.89
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119590036
N-(2-amino-1-cyclohexylethyl)-4-ethyl-3-nitrobenzamide
CID 119591763
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473927
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922
3-chloro-N-(4-chlorocyclohexyl)-5-nitrobenzamide
CID 114297283
N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
CID 106737533
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
CID 106737535
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide (CID 119589272) is N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide is NCC(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide?
The InChIKey is CWUPYLWFZIOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c16-12-6-11(7-13(8-12)19(21)22)15(20)18-14(9-17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2,(H,18,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide?
N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide has a molecular weight of 325.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-chloro-5-nitrobenzamide is sourced from PubChem (CID 119589272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).