2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide

C13H13Cl2N3O3 — CID 51165988

IUPAC2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)C1CC1
InChIInChI=1S/C13H13Cl2N3O3/c14-8-3-4-9(10(15)5-8)13(21)16-6-11(19)17-18-12(20)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyFJRDVDNKYCFXGQ-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.28
Rot. Bonds4

About 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 51165988) has the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.17 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID51165988
Molecular FormulaC13H13Cl2N3O3
Molecular Weight330.17 g/mol
Exact Mass329.03
IUPAC Name2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)C1CC1
InChIInChI=1S/C13H13Cl2N3O3/c14-8-3-4-9(10(15)5-8)13(21)16-6-11(19)17-18-12(20)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyFJRDVDNKYCFXGQ-UHFFFAOYSA-N
XLogP1.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387806
2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 27168075
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
2,4-dichloro-N-[2-[[cyano(cyclopropyl)methyl]amino]-2-oxoethyl]benzamide
CID 86796965
ethyl 4-[[(2,4-dichlorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24789441
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 51165990
2,4-dichloro-N-[2-[[(1S,3R)-3-cyanocyclopentyl]amino]-2-oxoethyl]benzamide
CID 99785550
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 36706576
2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
CID 86797002
N-[2-[2-(2,4-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 17424629
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 51165988) is 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)C1CC1.
What is the InChIKey of 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is FJRDVDNKYCFXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O3/c14-8-3-4-9(10(15)5-8)13(21)16-6-11(19)17-18-12(20)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 330.17 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 51165988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).