N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide

C14H13ClN2O4 — CID 2273531

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C14H13ClN2O4/c1-9-7-10(15)4-5-11(9)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyFMUSBSYWTJQOPF-UHFFFAOYSA-N
MW308.72 g/mol
LogP2.08
Rot. Bonds4

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide (PubChem CID 2273531) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
PubChem CID2273531
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C14H13ClN2O4/c1-9-7-10(15)4-5-11(9)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyFMUSBSYWTJQOPF-UHFFFAOYSA-N
XLogP2.08
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862447
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4938456
5,6-dichloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 7943823
6-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78771863

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide (CID 2273531) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide is Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide?
The InChIKey is FMUSBSYWTJQOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-9-7-10(15)4-5-11(9)21-8-13(18)16-17-14(19)12-3-2-6-20-12/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide has a molecular weight of 308.72 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 2273531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).