4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C12H15ClF2N2O2 — CID 120954672

IUPAC4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CC(F)(F)CN2)c(O)c1.Cl
InChIInChI=1S/C12H14F2N2O2.ClH/c1-7-2-3-8(10(17)4-7)16-11(18)9-5-12(13,14)6-15-9;/h2-4,9,15,17H,5-6H2,1H3,(H,16,18);1H
InChIKeyXQRKZBSTPSKDKI-UHFFFAOYSA-N
MW292.71 g/mol
LogP2.06
Rot. Bonds2

About 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120954672) has the molecular formula C12H15ClF2N2O2 and a molecular weight of 292.71 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120954672
Molecular FormulaC12H15ClF2N2O2
Molecular Weight292.71 g/mol
Exact Mass292.08
IUPAC Name4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CC(F)(F)CN2)c(O)c1.Cl
InChIInChI=1S/C12H14F2N2O2.ClH/c1-7-2-3-8(10(17)4-7)16-11(18)9-5-12(13,14)6-15-9;/h2-4,9,15,17H,5-6H2,1H3,(H,16,18);1H
InChIKeyXQRKZBSTPSKDKI-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120954679
4,4-difluoro-N-(3-fluoro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 120955050
N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-(2-hydroxy-4-methylphenyl)adamantane-2-carboxamide
CID 78915665
4,4-difluoro-N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 120954783
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120954672) is 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CC(F)(F)CN2)c(O)c1.Cl.
What is the InChIKey of 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XQRKZBSTPSKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2.ClH/c1-7-2-3-8(10(17)4-7)16-11(18)9-5-12(13,14)6-15-9;/h2-4,9,15,17H,5-6H2,1H3,(H,16,18);1H.
What are the key properties of 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 292.71 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120954672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).