N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide

C14H17Cl2NO2 — CID 104920538

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-14(2)5-3-4-9(14)13(19)17-8-6-10(15)12(18)11(16)7-8/h6-7,9,18H,3-5H2,1-2H3,(H,17,19)
InChIKeyMRADUMXITCADSV-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.46
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104920538) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104920538
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-14(2)5-3-4-9(14)13(19)17-8-6-10(15)12(18)11(16)7-8/h6-7,9,18H,3-5H2,1-2H3,(H,17,19)
InChIKeyMRADUMXITCADSV-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.46
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

2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
4-chloro-3-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175125
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181426
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181414
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107577993
N-[3-(3-chloropropyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184297

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104920538) is N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is MRADUMXITCADSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-14(2)5-3-4-9(14)13(19)17-8-6-10(15)12(18)11(16)7-8/h6-7,9,18H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 4.46, 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-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104920538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).