(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide

C18H16ClFN2O3 — CID 18230911

IUPAC(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
SMILESCc1cc(OCC(=O)NNC(=O)/C=C/c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C18H16ClFN2O3/c1-12-9-15(6-7-16(12)19)25-11-18(24)22-21-17(23)8-5-13-3-2-4-14(20)10-13/h2-10H,11H2,1H3,(H,21,23)(H,22,24)/b8-5+
InChIKeyFLORQGFZVITDON-VMPITWQZSA-N
MW362.79 g/mol
LogP3.03
Rot. Bonds5

About (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide

(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide (PubChem CID 18230911) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
PubChem CID18230911
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
SMILESCc1cc(OCC(=O)NNC(=O)/C=C/c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C18H16ClFN2O3/c1-12-9-15(6-7-16(12)19)25-11-18(24)22-21-17(23)8-5-13-3-2-4-14(20)10-13/h2-10H,11H2,1H3,(H,21,23)(H,22,24)/b8-5+
InChIKeyFLORQGFZVITDON-VMPITWQZSA-N
XLogP3.03
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 ≤ 53.03
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

(E)-3-(3-chlorophenyl)-N'-[2-(4-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 8880097
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide
CID 19167523
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 4612064
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
3-[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]prop-2-enoic acid
CID 76996015
(E)-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 6134648
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830407
(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121079
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3546274

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide (CID 18230911) is (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide is Cc1cc(OCC(=O)NNC(=O)/C=C/c2cccc(F)c2)ccc1Cl.
What is the InChIKey of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
The InChIKey is FLORQGFZVITDON-VMPITWQZSA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c1-12-9-15(6-7-16(12)19)25-11-18(24)22-21-17(23)8-5-13-3-2-4-14(20)10-13/h2-10H,11H2,1H3,(H,21,23)(H,22,24)/b8-5+.
What are the key properties of (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide?
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide has a molecular weight of 362.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 18230911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).