5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide

C18H16ClFN2O4 — CID 9278532

IUPAC5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C18H16ClFN2O4/c1-25-15-7-5-12(19)10-13(15)18(24)22-21-17(23)8-4-11-3-6-16(26-2)14(20)9-11/h3-10H,1-2H3,(H,21,23)(H,22,24)/b8-4+
InChIKeyFTLBAUTZZVHDGA-XBXARRHUSA-N
MW378.79 g/mol
LogP2.97
Rot. Bonds5

About 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide

5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide (PubChem CID 9278532) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
PubChem CID9278532
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C18H16ClFN2O4/c1-25-15-7-5-12(19)10-13(15)18(24)22-21-17(23)8-4-11-3-6-16(26-2)14(20)9-11/h3-10H,1-2H3,(H,21,23)(H,22,24)/b8-4+
InChIKeyFTLBAUTZZVHDGA-XBXARRHUSA-N
XLogP2.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.97
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'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9472211
5-[(E)-3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-2-methoxybenzenesulfonamide
CID 47035309
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297287
(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
5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
CID 24636112
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide (CID 9278532) is 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide is COc1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1F.
What is the InChIKey of 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
The InChIKey is FTLBAUTZZVHDGA-XBXARRHUSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-25-15-7-5-12(19)10-13(15)18(24)22-21-17(23)8-4-11-3-6-16(26-2)14(20)9-11/h3-10H,1-2H3,(H,21,23)(H,22,24)/b8-4+.
What are the key properties of 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide has a molecular weight of 378.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide is sourced from PubChem (CID 9278532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).