N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C20H17FN2O4 — CID 9297287

IUPACN'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2oc3ccccc3c2C)cc1F
InChIInChI=1S/C20H17FN2O4/c1-12-14-5-3-4-6-16(14)27-19(12)20(25)23-22-18(24)10-8-13-7-9-17(26-2)15(21)11-13/h3-11H,1-2H3,(H,22,24)(H,23,25)/b10-8+
InChIKeyVPWHEJTZYZISLT-CSKARUKUSA-N
MW368.36 g/mol
LogP3.36
Rot. Bonds4

About N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9297287) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9297287
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2oc3ccccc3c2C)cc1F
InChIInChI=1S/C20H17FN2O4/c1-12-14-5-3-4-6-16(14)27-19(12)20(25)23-22-18(24)10-8-13-7-9-17(26-2)15(21)11-13/h3-11H,1-2H3,(H,22,24)(H,23,25)/b10-8+
InChIKeyVPWHEJTZYZISLT-CSKARUKUSA-N
XLogP3.36
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9278532
N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9020852
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
5-(2-methoxyphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 37338452
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 39826924
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078335
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
5-[(E)-3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-2-methoxybenzenesulfonamide
CID 47035309

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 9297287) is N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide is COc1ccc(/C=C/C(=O)NNC(=O)c2oc3ccccc3c2C)cc1F.
What is the InChIKey of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is VPWHEJTZYZISLT-CSKARUKUSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-12-14-5-3-4-6-16(14)27-19(12)20(25)23-22-18(24)10-8-13-7-9-17(26-2)15(21)11-13/h3-11H,1-2H3,(H,22,24)(H,23,25)/b10-8+.
What are the key properties of N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 368.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9297287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).