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

C13H19ClN2O2 — CID 107150578

IUPAC5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)5-10(17)7-16-13(18)11-6-9(15)3-4-12(11)14/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18)
InChIKeyACHVRSBQKDLJAP-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.06
Rot. Bonds5

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

5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide (PubChem CID 107150578) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
PubChem CID107150578
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)5-10(17)7-16-13(18)11-6-9(15)3-4-12(11)14/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18)
InChIKeyACHVRSBQKDLJAP-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

5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
5-amino-2-chloro-N-(2-methylprop-2-enyl)benzamide
CID 114614975
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
2,3-dichloro-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 107189674

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide (CID 107150578) is 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide is CC(C)CC(O)CNC(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The InChIKey is ACHVRSBQKDLJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)5-10(17)7-16-13(18)11-6-9(15)3-4-12(11)14/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide?
5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)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 5-amino-2-chloro-N-(2-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 107150578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).