3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

C12H17ClN2O2 — CID 112576097

IUPAC3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-12(2,7-16)6-15-11(17)8-4-3-5-9(14)10(8)13/h3-5,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyLNJBMPUTOKSJDX-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide

3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (PubChem CID 112576097) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
PubChem CID112576097
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
SMILESCC(C)(CO)CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-12(2,7-16)6-15-11(17)8-4-3-5-9(14)10(8)13/h3-5,16H,6-7,14H2,1-2H3,(H,15,17)
InChIKeyLNJBMPUTOKSJDX-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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

3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 112574891
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide (CID 112576097) is 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is CC(C)(CO)CNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
The InChIKey is LNJBMPUTOKSJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,7-16)6-15-11(17)8-4-3-5-9(14)10(8)13/h3-5,16H,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide?
3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide has a molecular weight of 256.73 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 112576097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).