(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide

C17H14ClN3O5 — CID 9470311

IUPAC(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H14ClN3O5/c18-13-6-2-4-8-15(13)26-11-17(23)20-19-16(22)10-9-12-5-1-3-7-14(12)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)/b10-9+
InChIKeyYZWLQMCWPOEXIG-MDZDMXLPSA-N
MW375.77 g/mol
LogP2.49
Rot. Bonds6

About (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide

(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide (PubChem CID 9470311) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
PubChem CID9470311
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H14ClN3O5/c18-13-6-2-4-8-15(13)26-11-17(23)20-19-16(22)10-9-12-5-1-3-7-14(12)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)/b10-9+
InChIKeyYZWLQMCWPOEXIG-MDZDMXLPSA-N
XLogP2.49
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 6232626
(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 2062687
(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N'-[2-(2-nitrophenoxy)acetyl]prop-2-enehydrazide
CID 26053619
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(4-propan-2-ylphenyl)prop-2-enehydrazide
CID 9470192
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
(E)-N'-[2-(2-methoxyphenoxy)acetyl]-3-(3-nitrophenyl)prop-2-enehydrazide
CID 7943372

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide (CID 9470311) is (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide is O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)COc1ccccc1Cl.
What is the InChIKey of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide?
The InChIKey is YZWLQMCWPOEXIG-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c18-13-6-2-4-8-15(13)26-11-17(23)20-19-16(22)10-9-12-5-1-3-7-14(12)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)/b10-9+.
What are the key properties of (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide has a molecular weight of 375.77 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 9470311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).