2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide

C13H19ClN2O2 — CID 65337999

IUPAC2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C)C(C)(C)O)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(13(2,3)18)16-9-5-6-11(14)10(7-9)12(17)15-4/h5-8,16,18H,1-4H3,(H,15,17)
InChIKeyIRSBIZIHSMBTFJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.27
Rot. Bonds4

About 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide

2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide (PubChem CID 65337999) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
PubChem CID65337999
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C)C(C)(C)O)ccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(13(2,3)18)16-9-5-6-11(14)10(7-9)12(17)15-4/h5-8,16,18H,1-4H3,(H,15,17)
InChIKeyIRSBIZIHSMBTFJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
3-[3-chloro-4-(dimethylamino)anilino]-2-methylbutan-2-ol
CID 65338206
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
CID 60935553
2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide
CID 167744698
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880
4-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 65332857
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide (CID 65337999) is 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide is CNC(=O)c1cc(NC(C)C(C)(C)O)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide?
The InChIKey is IRSBIZIHSMBTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(13(2,3)18)16-9-5-6-11(14)10(7-9)12(17)15-4/h5-8,16,18H,1-4H3,(H,15,17).
What are the key properties of 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide?
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide has a molecular weight of 270.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 65337999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).