5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

C12H16Cl2N2O3 — CID 106151930

IUPAC5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3/c1-19-6-8(2-3-17)16-12(18)9-4-7(15)5-10(13)11(9)14/h4-5,8,17H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyJHSWKEJOSXWYIG-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.70
Rot. Bonds6

About 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide

5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (PubChem CID 106151930) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
PubChem CID106151930
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
SMILESCOCC(CCO)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3/c1-19-6-8(2-3-17)16-12(18)9-4-7(15)5-10(13)11(9)14/h4-5,8,17H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyJHSWKEJOSXWYIG-UHFFFAOYSA-N
XLogP1.70
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-5-methoxybenzamide
CID 106152027
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
6-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152004
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,5-triiodobenzamide
CID 106153883
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-5-sulfanylbenzamide
CID 106162864
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103799622
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide (CID 106151930) is 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is COCC(CCO)NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
The InChIKey is JHSWKEJOSXWYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c1-19-6-8(2-3-17)16-12(18)9-4-7(15)5-10(13)11(9)14/h4-5,8,17H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide?
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide has a molecular weight of 307.18 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 106151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).