3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide

C19H19ClN2O3 — CID 78573422

IUPAC3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C=Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O3/c1-13-3-4-14(2)17(11-13)25-12-19(24)22-21-18(23)10-7-15-5-8-16(20)9-6-15/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHXTWIUCCHVVZTN-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide

3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 78573422) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID78573422
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)C=Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H19ClN2O3/c1-13-3-4-14(2)17(11-13)25-12-19(24)22-21-18(23)10-7-15-5-8-16(20)9-6-15/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHXTWIUCCHVVZTN-UHFFFAOYSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.20
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)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6120896
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 7943419
(E)-N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6170411
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 78771977
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-ethoxyphenyl)prop-2-enehydrazide
CID 26845882
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
(E)-3-(4-chlorophenyl)-N'-(2-naphthalen-1-yloxyacetyl)prop-2-enehydrazide
CID 17195601
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4504677
(E)-N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187002
(E)-N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 6232718

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide (CID 78573422) is 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)C=Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is HXTWIUCCHVVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13-3-4-14(2)17(11-13)25-12-19(24)22-21-18(23)10-7-15-5-8-16(20)9-6-15/h3-11H,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide?
3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 358.83 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 78573422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).