3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide

C17H15IN2O3 — CID 6118091

IUPAC3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2)cc1I
InChIInChI=1S/C17H15IN2O3/c1-23-15-9-8-13(11-14(15)18)17(22)20-19-16(21)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+
InChIKeyLOKXPRBDBLVKFR-JXMROGBWSA-N
MW422.22 g/mol
LogP2.77
Rot. Bonds4

About 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide

3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (PubChem CID 6118091) has the molecular formula C17H15IN2O3 and a molecular weight of 422.22 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
PubChem CID6118091
Molecular FormulaC17H15IN2O3
Molecular Weight422.22 g/mol
Exact Mass422.01
IUPAC Name3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2)cc1I
InChIInChI=1S/C17H15IN2O3/c1-23-15-9-8-13(11-14(15)18)17(22)20-19-16(21)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+
InChIKeyLOKXPRBDBLVKFR-JXMROGBWSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methoxy-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 17176085
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
N'-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 118712438
3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 6120980
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
[2-[(E)-3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126040700
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-4-phenylbenzamide
CID 4636463
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
N-[4-[(E)-3-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 31261137

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The IUPAC name of 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (CID 6118091) is 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The InChIKey is LOKXPRBDBLVKFR-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15IN2O3/c1-23-15-9-8-13(11-14(15)18)17(22)20-19-16(21)10-7-12-5-3-2-4-6-12/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+.
What are the key properties of 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide has a molecular weight of 422.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 6118091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).