N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide

C11H11Cl2NO2 — CID 103891112

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H11Cl2NO2/c1-5-2-7(5)11(16)14-9-4-6(12)3-8(13)10(9)15/h3-5,7,15H,2H2,1H3,(H,14,16)
InChIKeyNQNUMFDDGHEYOF-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.29
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 103891112) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID103891112
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H11Cl2NO2/c1-5-2-7(5)11(16)14-9-4-6(12)3-8(13)10(9)15/h3-5,7,15H,2H2,1H3,(H,14,16)
InChIKeyNQNUMFDDGHEYOF-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
trans-(1R,2R)-N-[3-(5-bromo-3-chloro-2-hydroxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 97091548
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
(2R)-N-(3,5-dichloro-2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 103891199
N-(3,5-dichloro-2-hydroxyphenyl)thiolane-3-carboxamide
CID 104625878
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide (CID 103891112) is N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is NQNUMFDDGHEYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-5-2-7(5)11(16)14-9-4-6(12)3-8(13)10(9)15/h3-5,7,15H,2H2,1H3,(H,14,16).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 260.12 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 103891112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).