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

C12H13Cl2NO2 — CID 83154434

IUPAC2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO2/c1-6(7-2-3-7)12(17)15-8-4-9(13)11(16)10(14)5-8/h4-7,16H,2-3H2,1H3,(H,15,17)
InChIKeyHPCWCGZQXVGJOS-UHFFFAOYSA-N
MW274.15 g/mol
LogP3.68
Rot. Bonds3

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

2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide (PubChem CID 83154434) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
PubChem CID83154434
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC1
InChIInChI=1S/C12H13Cl2NO2/c1-6(7-2-3-7)12(17)15-8-4-9(13)11(16)10(14)5-8/h4-7,16H,2-3H2,1H3,(H,15,17)
InChIKeyHPCWCGZQXVGJOS-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
CID 115875463
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
CID 83147329
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-cyclopropylpropanamide
CID 110623153
2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide (CID 83154434) is 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide is CC(C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
The InChIKey is HPCWCGZQXVGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c1-6(7-2-3-7)12(17)15-8-4-9(13)11(16)10(14)5-8/h4-7,16H,2-3H2,1H3,(H,15,17).
What are the key properties of 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide?
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide has a molecular weight of 274.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 83154434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).