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

C11H12Cl2N2O2 — CID 107680422

IUPACN-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CCCN1
InChIInChI=1S/C11H12Cl2N2O2/c12-7-4-6(5-8(13)10(7)16)15-11(17)9-2-1-3-14-9/h4-5,9,14,16H,1-3H2,(H,15,17)
InChIKeyAARUWKVCLXHYHL-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.39
Rot. Bonds2

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

N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 107680422) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
PubChem CID107680422
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CCCN1
InChIInChI=1S/C11H12Cl2N2O2/c12-7-4-6(5-8(13)10(7)16)15-11(17)9-2-1-3-14-9/h4-5,9,14,16H,1-3H2,(H,15,17)
InChIKeyAARUWKVCLXHYHL-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(2R)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 107365936
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide (CID 107680422) is N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CCCN1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is AARUWKVCLXHYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-7-4-6(5-8(13)10(7)16)15-11(17)9-2-1-3-14-9/h4-5,9,14,16H,1-3H2,(H,15,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 107680422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).