3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H20Cl2N2O2 — CID 106347840

IUPAC3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-14(2,3)11(4-5-19)18-13(20)8-6-9(15)12(16)10(17)7-8/h6-7,11,19H,4-5,17H2,1-3H3,(H,18,20)
InChIKeyGDLXXIAREKYEIL-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106347840) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106347840
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-14(2,3)11(4-5-19)18-13(20)8-6-9(15)12(16)10(17)7-8/h6-7,11,19H,4-5,17H2,1-3H3,(H,18,20)
InChIKeyGDLXXIAREKYEIL-UHFFFAOYSA-N
XLogP3.10
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.10
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-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347896
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
3-amino-4,5-dichloro-N-(3-methylbutyl)benzamide
CID 61092538
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 61102024
4-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 114176687
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106347840) is 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is GDLXXIAREKYEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-14(2,3)11(4-5-19)18-13(20)8-6-9(15)12(16)10(17)7-8/h6-7,11,19H,4-5,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 319.23 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).