2-amino-6-chloro-N-hexan-2-ylbenzamide

C13H19ClN2O — CID 63660411

IUPAC2-amino-6-chloro-N-hexan-2-ylbenzamide
SMILESCCCCC(C)NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-4-6-9(2)16-13(17)12-10(14)7-5-8-11(12)15/h5,7-9H,3-4,6,15H2,1-2H3,(H,16,17)
InChIKeyAYYUSZKNRABIBG-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.23
Rot. Bonds5

About 2-amino-6-chloro-N-hexan-2-ylbenzamide

2-amino-6-chloro-N-hexan-2-ylbenzamide (PubChem CID 63660411) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-hexan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-hexan-2-ylbenzamide
PubChem CID63660411
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-6-chloro-N-hexan-2-ylbenzamide
SMILESCCCCC(C)NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-3-4-6-9(2)16-13(17)12-10(14)7-5-8-11(12)15/h5,7-9H,3-4,6,15H2,1-2H3,(H,16,17)
InChIKeyAYYUSZKNRABIBG-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 114176666
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
CID 106343673
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
2-ethylhexyl 2-amino-6-chlorobenzoate
CID 63663634
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 4618388

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-hexan-2-ylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-hexan-2-ylbenzamide (CID 63660411) is 2-amino-6-chloro-N-hexan-2-ylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-hexan-2-ylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-hexan-2-ylbenzamide is CCCCC(C)NC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-hexan-2-ylbenzamide?
The InChIKey is AYYUSZKNRABIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-6-9(2)16-13(17)12-10(14)7-5-8-11(12)15/h5,7-9H,3-4,6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-6-chloro-N-hexan-2-ylbenzamide?
2-amino-6-chloro-N-hexan-2-ylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-hexan-2-ylbenzamide is sourced from PubChem (CID 63660411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).