N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide

C18H16ClFN2O3 — CID 24638289

IUPACN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C18H16ClFN2O3/c1-12(25-16-8-6-15(20)7-9-16)18(24)22-21-17(23)10-5-13-3-2-4-14(19)11-13/h2-12H,1H3,(H,21,23)(H,22,24)/b10-5+
InChIKeyFAPYLPLRHRCXNO-BJMVGYQFSA-N
MW362.79 g/mol
LogP3.11
Rot. Bonds5

About N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide

N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 24638289) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID24638289
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC NameN'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C18H16ClFN2O3/c1-12(25-16-8-6-15(20)7-9-16)18(24)22-21-17(23)10-5-13-3-2-4-14(19)11-13/h2-12H,1H3,(H,21,23)(H,22,24)/b10-5+
InChIKeyFAPYLPLRHRCXNO-BJMVGYQFSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9367296
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]propanehydrazide
CID 8960600
(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]propanehydrazide
CID 7779836
(2R)-2-(4-fluorophenoxy)-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]propanehydrazide
CID 9367846
(2R)-N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9368256
2-(2-fluorophenoxy)-N'-[3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 76859669
N'-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 24566001
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
(2S)-2-(3-bromophenoxy)-N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9370836
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9160111

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 24638289) is N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is FAPYLPLRHRCXNO-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-12(25-16-8-6-15(20)7-9-16)18(24)22-21-17(23)10-5-13-3-2-4-14(19)11-13/h2-12H,1H3,(H,21,23)(H,22,24)/b10-5+.
What are the key properties of N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide?
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 362.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 24638289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).