N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide

C14H16ClN3O4 — CID 7025869

IUPACN'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
SMILESO=C(CCCO)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H16ClN3O4/c15-9-3-1-4-10(7-9)18-13(21)8-11(14(18)22)16-17-12(20)5-2-6-19/h1,3-4,7,11,16,19H,2,5-6,8H2,(H,17,20)/t11-/m1/s1
InChIKeyMZVVWGUYIHHVQI-LLVKDONJSA-N
MW325.75 g/mol
LogP0.37
Rot. Bonds6

About N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide

N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide (PubChem CID 7025869) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
PubChem CID7025869
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC NameN'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
SMILESO=C(CCCO)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H16ClN3O4/c15-9-3-1-4-10(7-9)18-13(21)8-11(14(18)22)16-17-12(20)5-2-6-19/h1,3-4,7,11,16,19H,2,5-6,8H2,(H,17,20)/t11-/m1/s1
InChIKeyMZVVWGUYIHHVQI-LLVKDONJSA-N
XLogP0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide
CID 3839764
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358
2-[4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4852443
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
(3S)-3-(1-adamantylamino)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 7182344
3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
CID 3780901
2-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 776640
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 894163
2-(4-chlorophenoxy)-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]acetohydrazide
CID 4898317

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide?
The IUPAC name of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide (CID 7025869) is N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide.
What is the SMILES notation for N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide?
The canonical SMILES for N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide is O=C(CCCO)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide?
The InChIKey is MZVVWGUYIHHVQI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c15-9-3-1-4-10(7-9)18-13(21)8-11(14(18)22)16-17-12(20)5-2-6-19/h1,3-4,7,11,16,19H,2,5-6,8H2,(H,17,20)/t11-/m1/s1.
What are the key properties of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide?
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide has a molecular weight of 325.75 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide is sourced from PubChem (CID 7025869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).