(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H19ClN2O2 — CID 79026063

IUPAC(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2O)CC1N(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9-7-17(8-12(9)16(2)3)14(19)11-5-4-10(15)6-13(11)18/h4-6,9,12,18H,7-8H2,1-3H3
InChIKeySRWFCILYNULYBQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.07
Rot. Bonds2

About (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 79026063) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID79026063
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2O)CC1N(C)C
InChIInChI=1S/C14H19ClN2O2/c1-9-7-17(8-12(9)16(2)3)14(19)11-5-4-10(15)6-13(11)18/h4-6,9,12,18H,7-8H2,1-3H3
InChIKeySRWFCILYNULYBQ-UHFFFAOYSA-N
XLogP2.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Buclosamide
CID 68466
2-{6-Azaspiro[3.4]octane-6-carbonyl}-3,5-dichlorophenol
CID 75426260
(2,4-Dichloro-6-hydroxyphenyl)-[3-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 155524672
(3-Benzylpyrrolidin-1-yl)-(2,4-dichloro-6-hydroxyphenyl)methanone
CID 155538948
6-Azaspiro[3.4]octan-6-yl-(2-chloro-4-fluoro-6-hydroxyphenyl)methanone
CID 155541999
(2,4-Dichloro-6-hydroxyphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 155542737
5-Azaspiro[2.4]heptan-5-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
CID 155556960
4-chloro-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 2121692
N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-hydroxybenzamide
CID 54587661
5-Chloro-2-[(3-ethyl-4-isopropyl-1-piperazinyl)carbonyl]phenol
CID 70770911
(2,4-Dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone
CID 75437843
6-Azaspiro[3.4]octan-6-yl-(4-chloro-2-hydroxyphenyl)methanone
CID 127464426

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 79026063) is (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CN(C(=O)c2ccc(Cl)cc2O)CC1N(C)C.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is SRWFCILYNULYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-7-17(8-12(9)16(2)3)14(19)11-5-4-10(15)6-13(11)18/h4-6,9,12,18H,7-8H2,1-3H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 282.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 79026063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).