N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide

C10H11Cl2NO3 — CID 115875463

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c1-5(16-2)10(15)13-6-3-7(11)9(14)8(12)4-6/h3-5,14H,1-2H3,(H,13,15)
InChIKeyRDTFXDBEZWKZCO-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.67
Rot. Bonds3

About N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide (PubChem CID 115875463) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
PubChem CID115875463
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c1-5(16-2)10(15)13-6-3-7(11)9(14)8(12)4-6/h3-5,14H,1-2H3,(H,13,15)
InChIKeyRDTFXDBEZWKZCO-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 107679540
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
tert-butyl N-[(2S)-1-(3,5-dichloro-4-hydroxyanilino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 70444747
N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide (CID 115875463) is N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide is COC(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide?
The InChIKey is RDTFXDBEZWKZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-5(16-2)10(15)13-6-3-7(11)9(14)8(12)4-6/h3-5,14H,1-2H3,(H,13,15).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide has a molecular weight of 264.11 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide is sourced from PubChem (CID 115875463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).