(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide

C21H17N3O4 — CID 17187055

IUPAC(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H17N3O4/c25-20(13-10-15-8-11-18(12-9-15)24(27)28)22-23-21(26)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2,(H,22,25)(H,23,26)/b13-10+
InChIKeyICVRFLPGZPWXNN-JLHYYAGUSA-N
MW375.38 g/mol
LogP3.15
Rot. Bonds5

About (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide

(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide (PubChem CID 17187055) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide
PubChem CID17187055
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H17N3O4/c25-20(13-10-15-8-11-18(12-9-15)24(27)28)22-23-21(26)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2,(H,22,25)(H,23,26)/b13-10+
InChIKeyICVRFLPGZPWXNN-JLHYYAGUSA-N
XLogP3.15
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-(4-ethoxyphenyl)-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
CID 17227282
(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 94848384
(E)-N-(2,6-diethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 6061004
trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
CID 6557039
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
(E)-3-(4-chlorophenyl)-N'-[2-(4-nitrophenoxy)acetyl]prop-2-enehydrazide
CID 17195593
[2-(naphthalen-1-ylamino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2426056
(E)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17187354
4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
CID 7948453
2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
CID 8699845

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide (CID 17187055) is (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide?
The InChIKey is ICVRFLPGZPWXNN-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-20(13-10-15-8-11-18(12-9-15)24(27)28)22-23-21(26)14-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H,14H2,(H,22,25)(H,23,26)/b13-10+.
What are the key properties of (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide?
(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide has a molecular weight of 375.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide is sourced from PubChem (CID 17187055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).