(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide

C17H14ClN3O5 — CID 17195593

IUPAC(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14ClN3O5/c18-13-4-1-12(2-5-13)3-10-16(22)19-20-17(23)11-26-15-8-6-14(7-9-15)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)/b10-3+
InChIKeyMMWVGXKFYHPJKR-XCVCLJGOSA-N
MW375.77 g/mol
LogP2.49
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide

(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide (PubChem CID 17195593) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
PubChem CID17195593
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14ClN3O5/c18-13-4-1-12(2-5-13)3-10-16(22)19-20-17(23)11-26-15-8-6-14(7-9-15)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)/b10-3+
InChIKeyMMWVGXKFYHPJKR-XCVCLJGOSA-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

(E)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187002
N-[2-(4-chlorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3127033
N'-[2-(4-nitrophenoxy)acetyl]-3-thiophen-2-ylprop-2-enehydrazide
CID 3392985
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
(E)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187354
(E)-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187410
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
(E)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227638
(E)-N'-[2-(2-butan-2-ylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187004
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide (CID 17195593) is (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide is O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is MMWVGXKFYHPJKR-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c18-13-4-1-12(2-5-13)3-10-16(22)19-20-17(23)11-26-15-8-6-14(7-9-15)21(24)25/h1-10H,11H2,(H,19,22)(H,20,23)/b10-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide?
(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]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)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 17195593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).