(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

C20H20ClN3O4 — CID 7979073

IUPAC(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C20H20ClN3O4/c1-2-28-17-9-4-3-8-16(17)24-12-14(11-18(24)25)20(27)23-22-19(26)13-6-5-7-15(21)10-13/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,23,27)/t14-/m1/s1
InChIKeyXFRRNIZQANCRCP-CQSZACIVSA-N
MW401.85 g/mol
LogP2.55
Rot. Bonds5

About (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 7979073) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID7979073
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C20H20ClN3O4/c1-2-28-17-9-4-3-8-16(17)24-12-14(11-18(24)25)20(27)23-22-19(26)13-6-5-7-15(21)10-13/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,23,27)/t14-/m1/s1
InChIKeyXFRRNIZQANCRCP-CQSZACIVSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743
N-[2-(3-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188186
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
(3R)-N-(3-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456585
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9217109
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
1-(5-chloro-2-methylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187635
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 7979073) is (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide is CCOc1ccccc1N1C[C@H](C(=O)NNC(=O)c2cccc(Cl)c2)CC1=O.
What is the InChIKey of (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is XFRRNIZQANCRCP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-2-28-17-9-4-3-8-16(17)24-12-14(11-18(24)25)20(27)23-22-19(26)13-6-5-7-15(21)10-13/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 401.85 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 7979073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).