N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide

C20H15N3O4 — CID 5191128

IUPACN'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H15N3O4/c24-19(12-11-15-7-3-6-14-5-1-2-10-18(14)15)21-22-20(25)16-8-4-9-17(13-16)23(26)27/h1-13H,(H,21,24)(H,22,25)
InChIKeyVMENPMKDPMPHRM-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.22
Rot. Bonds4

About N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide

N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide (PubChem CID 5191128) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
PubChem CID5191128
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC NameN'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
SMILESO=C(C=Cc1cccc2ccccc12)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H15N3O4/c24-19(12-11-15-7-3-6-14-5-1-2-10-18(14)15)21-22-20(25)16-8-4-9-17(13-16)23(26)27/h1-13H,(H,21,24)(H,22,25)
InChIKeyVMENPMKDPMPHRM-UHFFFAOYSA-N
XLogP3.22
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.22
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'}

Analyze N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9334106
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
3-nitro-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9333456
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
3-(dimethylamino)-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 30485890

Frequently Asked Questions

What is the IUPAC name of N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide (CID 5191128) is N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide is O=C(C=Cc1cccc2ccccc12)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide?
The InChIKey is VMENPMKDPMPHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c24-19(12-11-15-7-3-6-14-5-1-2-10-18(14)15)21-22-20(25)16-8-4-9-17(13-16)23(26)27/h1-13H,(H,21,24)(H,22,25).
What are the key properties of N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide?
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide has a molecular weight of 361.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 5191128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).