N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide

C13H17ClN2O2 — CID 107679774

IUPACN-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCN1
InChIInChI=1S/C13H17ClN2O2/c1-2-13(6-3-7-15-13)12(18)16-9-4-5-11(17)10(14)8-9/h4-5,8,15,17H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyMNSCIVQGQGJLSP-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.52
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide

N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 107679774) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID107679774
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCN1
InChIInChI=1S/C13H17ClN2O2/c1-2-13(6-3-7-15-13)12(18)16-9-4-5-11(17)10(14)8-9/h4-5,8,15,17H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyMNSCIVQGQGJLSP-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.52
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-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
2-ethyl-N-(2-methyl-1H-indol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 126793937
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83063094
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83062907

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide (CID 107679774) is N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(O)c(Cl)c2)CCCN1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is MNSCIVQGQGJLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-13(6-3-7-15-13)12(18)16-9-4-5-11(17)10(14)8-9/h4-5,8,15,17H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107679774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).