2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide

C12H17ClN2O2 — CID 66091263

IUPAC2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-8(4-5-16)7-15-12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyRZZOQMIEAXZLFE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.67
Rot. Bonds5

About 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide

2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 66091263) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID66091263
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-8(4-5-16)7-15-12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyRZZOQMIEAXZLFE-UHFFFAOYSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.67
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

5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide (CID 66091263) is 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is RZZOQMIEAXZLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(4-5-16)7-15-12(17)10-6-9(13)2-3-11(10)14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 66091263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).