2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C15H13Cl2N3O4 — CID 9472501

IUPAC2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1occc1C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O4/c1-8-10(4-5-24-8)15(23)20-19-13(21)7-18-14(22)11-3-2-9(16)6-12(11)17/h2-6H,7H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyPPSJWJAXHMKERA-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.09
Rot. Bonds4

About 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 9472501) has the molecular formula C15H13Cl2N3O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID9472501
Molecular FormulaC15H13Cl2N3O4
Molecular Weight370.19 g/mol
Exact Mass369.03
IUPAC Name2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1occc1C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O4/c1-8-10(4-5-24-8)15(23)20-19-13(21)7-18-14(22)11-3-2-9(16)6-12(11)17/h2-6H,7H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyPPSJWJAXHMKERA-UHFFFAOYSA-N
XLogP2.09
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 17424629
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 36706576
2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
2,4-dichloro-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553410
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 27859031
2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 25447062
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
3-chloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9472674

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 9472501) is 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1occc1C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is PPSJWJAXHMKERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4/c1-8-10(4-5-24-8)15(23)20-19-13(21)7-18-14(22)11-3-2-9(16)6-12(11)17/h2-6H,7H2,1H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 370.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9472501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).