N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C12H16Cl2N2O2 — CID 119671777

IUPACN-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)C1CC(O)CN1.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-7-9(13)3-2-4-10(7)15-12(17)11-5-8(16)6-14-11;/h2-4,8,11,14,16H,5-6H2,1H3,(H,15,17);1H
InChIKeyWFPSFNMDQWDZLG-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.73
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119671777) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119671777
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1NC(=O)C1CC(O)CN1.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-7-9(13)3-2-4-10(7)15-12(17)11-5-8(16)6-14-11;/h2-4,8,11,14,16H,5-6H2,1H3,(H,15,17);1H
InChIKeyWFPSFNMDQWDZLG-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 60946063
4-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120607826
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
(2R,4R)-4-hydroxy-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 154889286
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43120795
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
propan-2-yl 4-chloro-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]benzoate;hydrochloride
CID 154890569
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119671777) is N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cc1c(Cl)cccc1NC(=O)C1CC(O)CN1.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WFPSFNMDQWDZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c1-7-9(13)3-2-4-10(7)15-12(17)11-5-8(16)6-14-11;/h2-4,8,11,14,16H,5-6H2,1H3,(H,15,17);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119671777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).