2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H19ClN2O2 — CID 114176666

IUPAC2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)11(6-7-17)16-13(18)12-9(14)4-3-5-10(12)15/h3-5,8,11,17H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyGTACOZYKELGBKU-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 114176666) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID114176666
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)11(6-7-17)16-13(18)12-9(14)4-3-5-10(12)15/h3-5,8,11,17H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyGTACOZYKELGBKU-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-chlorobenzamide
CID 106343673
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2-nitrobenzamide
CID 103782440
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
2-amino-6-chloro-N-(7-methyloctyl)benzamide
CID 107814571
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 114176666) is 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is GTACOZYKELGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)11(6-7-17)16-13(18)12-9(14)4-3-5-10(12)15/h3-5,8,11,17H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 114176666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).