N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide

C13H19ClN2O2 — CID 114208009

IUPACN-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
SMILESCC(C)(C)C(CN)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)11(7-15)16-12(18)9-6-8(14)4-5-10(9)17/h4-6,11,17H,7,15H2,1-3H3,(H,16,18)
InChIKeyUODWZGBFAYIYSZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.15
Rot. Bonds3

About N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide

N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide (PubChem CID 114208009) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
PubChem CID114208009
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
SMILESCC(C)(C)C(CN)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)11(7-15)16-12(18)9-6-8(14)4-5-10(9)17/h4-6,11,17H,7,15H2,1-3H3,(H,16,18)
InChIKeyUODWZGBFAYIYSZ-UHFFFAOYSA-N
XLogP2.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-5-fluoro-2-hydroxybenzamide
CID 106356974
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
5-chloro-N-(1-chloropropan-2-yl)-2-hydroxybenzamide
CID 114299358
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
CID 114177999
2-[(5-chloro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 43185169
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-2-methylbenzamide
CID 114208101
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
CID 114208039
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
CID 10692135

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide (CID 114208009) is N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide is CC(C)(C)C(CN)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide?
The InChIKey is UODWZGBFAYIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)11(7-15)16-12(18)9-6-8(14)4-5-10(9)17/h4-6,11,17H,7,15H2,1-3H3,(H,16,18).
What are the key properties of N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide?
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide has a molecular weight of 270.76 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 114208009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).