N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide

C17H15N3O4 — CID 9314775

IUPACN'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESCc1ccccc1/C=C/C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c1-12-4-2-3-5-13(12)8-11-16(21)18-19-17(22)14-6-9-15(10-7-14)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)/b11-8+
InChIKeyQRFCRXVUTBUJDG-DHZHZOJOSA-N
MW325.32 g/mol
LogP2.38
Rot. Bonds4

About N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide

N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide (PubChem CID 9314775) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
PubChem CID9314775
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
SMILESCc1ccccc1/C=C/C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c1-12-4-2-3-5-13(12)8-11-16(21)18-19-17(22)14-6-9-15(10-7-14)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)/b11-8+
InChIKeyQRFCRXVUTBUJDG-DHZHZOJOSA-N
XLogP2.38
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.38
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

N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126035920
4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9156146
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
[2-[(E)-3-[2-[4-(2-methylpropanoylamino)benzoyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-nitrobenzoate
CID 126045581
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9496126
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314822
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128
4-nitro-N'-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9036377

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide (CID 9314775) is N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide is Cc1ccccc1/C=C/C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
The InChIKey is QRFCRXVUTBUJDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-12-4-2-3-5-13(12)8-11-16(21)18-19-17(22)14-6-9-15(10-7-14)20(23)24/h2-11H,1H3,(H,18,21)(H,19,22)/b11-8+.
What are the key properties of N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide?
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide has a molecular weight of 325.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide is sourced from PubChem (CID 9314775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).