3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide

C11H13Cl2NO3 — CID 110287800

IUPAC3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H13Cl2NO3/c1-6(5-15)14-11(16)9-7(12)3-4-8(13)10(9)17-2/h3-4,6,15H,5H2,1-2H3,(H,14,16)/t6-/m0/s1
InChIKeyKOOXLLMTTYRRDI-LURJTMIESA-N
MW278.13 g/mol
LogP2.11
Rot. Bonds4

About 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide

3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide (PubChem CID 110287800) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
PubChem CID110287800
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)CO
InChIInChI=1S/C11H13Cl2NO3/c1-6(5-15)14-11(16)9-7(12)3-4-8(13)10(9)17-2/h3-4,6,15H,5H2,1-2H3,(H,14,16)/t6-/m0/s1
InChIKeyKOOXLLMTTYRRDI-LURJTMIESA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-methoxy-N-(1-phenylethyl)benzamide
CID 2788458
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347569
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
[di(propan-2-yl)amino] 2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetate
CID 88519708
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
N-[2-[(3,6-dichloro-2-methoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108574475
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
The IUPAC name of 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide (CID 110287800) is 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
The canonical SMILES for 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide is COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)CO.
What is the InChIKey of 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
The InChIKey is KOOXLLMTTYRRDI-LURJTMIESA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-6(5-15)14-11(16)9-7(12)3-4-8(13)10(9)17-2/h3-4,6,15H,5H2,1-2H3,(H,14,16)/t6-/m0/s1.
What are the key properties of 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide?
3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide has a molecular weight of 278.13 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 110287800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).