4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide

C21H23FN2O4 — CID 9440084

IUPAC4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1OC
InChIInChI=1S/C21H23FN2O4/c1-3-4-12-28-18-10-9-16(14-19(18)27-2)21(26)24-23-20(25)11-8-15-6-5-7-17(22)13-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,25)(H,24,26)/b11-8+
InChIKeyALQWCKOMWNEQNV-DHZHZOJOSA-N
MW386.42 g/mol
LogP3.49
Rot. Bonds8

About 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide

4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide (PubChem CID 9440084) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
PubChem CID9440084
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1OC
InChIInChI=1S/C21H23FN2O4/c1-3-4-12-28-18-10-9-16(14-19(18)27-2)21(26)24-23-20(25)11-8-15-6-5-7-17(22)13-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,25)(H,24,26)/b11-8+
InChIKeyALQWCKOMWNEQNV-DHZHZOJOSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
3-(3-fluorophenyl)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]prop-2-en-1-one
CID 75891129
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 2071503
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 35094165
2-[4-[3-(3-fluorophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid
CID 4988069
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide (CID 9440084) is 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1OC.
What is the InChIKey of 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide?
The InChIKey is ALQWCKOMWNEQNV-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-3-4-12-28-18-10-9-16(14-19(18)27-2)21(26)24-23-20(25)11-8-15-6-5-7-17(22)13-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,23,25)(H,24,26)/b11-8+.
What are the key properties of 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide?
4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide has a molecular weight of 386.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 9440084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).