(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C19H17Cl2N3O3 — CID 9056246

IUPAC(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C19H17Cl2N3O3/c1-11-15(21)3-2-4-16(11)24-10-13(9-17(24)25)19(27)23-22-18(26)12-5-7-14(20)8-6-12/h2-8,13H,9-10H2,1H3,(H,22,26)(H,23,27)/t13-/m1/s1
InChIKeyUNWKLQBUENHLCO-CYBMUJFWSA-N
MW406.27 g/mol
LogP3.12
Rot. Bonds3

About (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 9056246) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID9056246
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C19H17Cl2N3O3/c1-11-15(21)3-2-4-16(11)24-10-13(9-17(24)25)19(27)23-22-18(26)12-5-7-14(20)8-6-12/h2-8,13H,9-10H2,1H3,(H,22,26)(H,23,27)/t13-/m1/s1
InChIKeyUNWKLQBUENHLCO-CYBMUJFWSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46523041
1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187486
(3R)-N-[(2S)-butan-2-yl]-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124750296
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056265
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3R)-1-(3-chloro-2-methylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523156
(3R)-1-(3-chloro-2-methylphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 7325420
(3R)-1-(3-chloro-2-methylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 970364
1-(3-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187538
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056272
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 9056246) is (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1c(Cl)cccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is UNWKLQBUENHLCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-11-15(21)3-2-4-16(11)24-10-13(9-17(24)25)19(27)23-22-18(26)12-5-7-14(20)8-6-12/h2-8,13H,9-10H2,1H3,(H,22,26)(H,23,27)/t13-/m1/s1.
What are the key properties of (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 406.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 9056246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).