N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide

C12H14ClN3O3 — CID 142448508

IUPACN'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
SMILESCc1c(Cl)cccc1NNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C12H14ClN3O3/c1-6-7(13)3-2-4-8(6)15-16-12(19)10-9(17)5-14-11(10)18/h2-4,9-10,15,17H,5H2,1H3,(H,14,18)(H,16,19)
InChIKeyAHAIVLXYCKCYGY-UHFFFAOYSA-N
MW283.71 g/mol
LogP0.20
Rot. Bonds3

About N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide

N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide (PubChem CID 142448508) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
PubChem CID142448508
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
SMILESCc1c(Cl)cccc1NNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C12H14ClN3O3/c1-6-7(13)3-2-4-8(6)15-16-12(19)10-9(17)5-14-11(10)18/h2-4,9-10,15,17H,5H2,1H3,(H,14,18)(H,16,19)
InChIKeyAHAIVLXYCKCYGY-UHFFFAOYSA-N
XLogP0.20
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119671777
N-(3-chloro-2-methylphenyl)-3-hydroxy-5-oxo-1,2-oxazolidine-4-carboxamide
CID 142439079
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
N-(3-chloro-2-methylphenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2989627
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82621815
2-[azetidin-3-yl(methyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 66186198
(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7034112
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide (CID 142448508) is N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide is Cc1c(Cl)cccc1NNC(=O)C1C(=O)NCC1O.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
The InChIKey is AHAIVLXYCKCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-6-7(13)3-2-4-8(6)15-16-12(19)10-9(17)5-14-11(10)18/h2-4,9-10,15,17H,5H2,1H3,(H,14,18)(H,16,19).
What are the key properties of N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide has a molecular weight of 283.71 g/mol, XLogP of 0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 142448508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).