2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide

C9H8Cl3NO2 — CID 107679540

IUPAC2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl3NO2/c1-4(10)9(15)13-5-2-6(11)8(14)7(12)3-5/h2-4,14H,1H3,(H,13,15)
InChIKeyXAOKEXJDLABXNU-UHFFFAOYSA-N
MW268.53 g/mol
LogP3.26
Rot. Bonds2

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

2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide (PubChem CID 107679540) has the molecular formula C9H8Cl3NO2 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
PubChem CID107679540
Molecular FormulaC9H8Cl3NO2
Molecular Weight268.53 g/mol
Exact Mass266.96
IUPAC Name2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
SMILESCC(Cl)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H8Cl3NO2/c1-4(10)9(15)13-5-2-6(11)8(14)7(12)3-5/h2-4,14H,1H3,(H,13,15)
InChIKeyXAOKEXJDLABXNU-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
CID 115875463
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
tert-butyl N-[(2S)-1-(3,5-dichloro-4-hydroxyanilino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 70444747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide (CID 107679540) is 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide is CC(Cl)C(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
The InChIKey is XAOKEXJDLABXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO2/c1-4(10)9(15)13-5-2-6(11)8(14)7(12)3-5/h2-4,14H,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide has a molecular weight of 268.53 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 107679540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).