4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

C12H17ClN2O2 — CID 64549490

IUPAC4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-3-12(2,7-16)15-11(17)9-5-4-8(14)6-10(9)13/h4-6,16H,3,7,14H2,1-2H3,(H,15,17)
InChIKeyLLUPOMCWKNPMKO-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.81
Rot. Bonds4

About 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 64549490) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID64549490
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-3-12(2,7-16)15-11(17)9-5-4-8(14)6-10(9)13/h4-6,16H,3,7,14H2,1-2H3,(H,15,17)
InChIKeyLLUPOMCWKNPMKO-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.81
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

4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549076
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 115738829
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
4-amino-2-chloro-N-(1-methoxy-2-methylpropan-2-yl)benzamide;hydrochloride
CID 119760977
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (CID 64549490) is 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is CCC(C)(CO)NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is LLUPOMCWKNPMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-12(2,7-16)15-11(17)9-5-4-8(14)6-10(9)13/h4-6,16H,3,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 64549490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).