N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide

C19H18ClN3O3 — CID 26657735

IUPACN'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18ClN3O3/c20-15-7-3-13(4-8-15)12-17(24)21-22-19(26)14-5-9-16(10-6-14)23-11-1-2-18(23)25/h3-10H,1-2,11-12H2,(H,21,24)(H,22,26)
InChIKeyBRXWURUMEGQTBF-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.47
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 26657735) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID26657735
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H18ClN3O3/c20-15-7-3-13(4-8-15)12-17(24)21-22-19(26)14-5-9-16(10-6-14)23-11-1-2-18(23)25/h3-10H,1-2,11-12H2,(H,21,24)(H,22,26)
InChIKeyBRXWURUMEGQTBF-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.47
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'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8934807
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9161741
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(3-chlorophenyl)-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]thiourea
CID 9376927
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 7479792
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 26657735) is N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is BRXWURUMEGQTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-7-3-13(4-8-15)12-17(24)21-22-19(26)14-5-9-16(10-6-14)23-11-1-2-18(23)25/h3-10H,1-2,11-12H2,(H,21,24)(H,22,26).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 371.82 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 26657735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).