3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide

C13H19ClN2O2 — CID 102664727

IUPAC3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
SMILESCC(C)C(CO)NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)12(7-17)16-6-10-4-3-9(13(15)18)5-11(10)14/h3-5,8,12,16-17H,6-7H2,1-2H3,(H2,15,18)
InChIKeyQSNCDIMVOAUSSG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.55
Rot. Bonds6

About 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide

3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide (PubChem CID 102664727) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
PubChem CID102664727
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
SMILESCC(C)C(CO)NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-8(2)12(7-17)16-6-10-4-3-9(13(15)18)5-11(10)14/h3-5,8,12,16-17H,6-7H2,1-2H3,(H2,15,18)
InChIKeyQSNCDIMVOAUSSG-UHFFFAOYSA-N
XLogP1.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284
(2S)-2-[(4-bromo-2-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 114986509
3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
CID 102665133
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 102665012
3-chloro-4-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzamide
CID 102664181
3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
CID 102665041
3-chloro-4-[[2-(2-methylpropoxy)ethylamino]methyl]benzamide
CID 102665152
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide (CID 102664727) is 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide is CC(C)C(CO)NCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The InChIKey is QSNCDIMVOAUSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8(2)12(7-17)16-6-10-4-3-9(13(15)18)5-11(10)14/h3-5,8,12,16-17H,6-7H2,1-2H3,(H2,15,18).
What are the key properties of 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide has a molecular weight of 270.76 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 102664727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).