4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide

C21H18F2N4O5 — CID 35066726

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NNC(=O)c2ccc3ccccc3n2)ccc1OC(F)F
InChIInChI=1S/C21H18F2N4O5/c1-31-17-10-13(7-9-16(17)32-21(22)23)19(29)24-11-18(28)26-27-20(30)15-8-6-12-4-2-3-5-14(12)25-15/h2-10,21H,11H2,1H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyTXWJTEOCNQQVGU-UHFFFAOYSA-N
MW444.39 g/mol
LogP2.04
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 35066726) has the molecular formula C21H18F2N4O5 and a molecular weight of 444.39 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID35066726
Molecular FormulaC21H18F2N4O5
Molecular Weight444.39 g/mol
Exact Mass444.12
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NNC(=O)c2ccc3ccccc3n2)ccc1OC(F)F
InChIInChI=1S/C21H18F2N4O5/c1-31-17-10-13(7-9-16(17)32-21(22)23)19(29)24-11-18(28)26-27-20(30)15-8-6-12-4-2-3-5-14(12)25-15/h2-10,21H,11H2,1H3,(H,24,29)(H,26,28)(H,27,30)
InChIKeyTXWJTEOCNQQVGU-UHFFFAOYSA-N
XLogP2.04
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
4-(difluoromethoxy)-3-methoxy-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 25440089
3,4-dimethoxy-N-[2-[2-[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 41410730
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-3-methoxy-N-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 9477571
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N'-[3-(difluoromethoxy)benzoyl]quinoline-2-carbohydrazide
CID 35064242
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide (CID 35066726) is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide is COc1cc(C(=O)NCC(=O)NNC(=O)c2ccc3ccccc3n2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is TXWJTEOCNQQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O5/c1-31-17-10-13(7-9-16(17)32-21(22)23)19(29)24-11-18(28)26-27-20(30)15-8-6-12-4-2-3-5-14(12)25-15/h2-10,21H,11H2,1H3,(H,24,29)(H,26,28)(H,27,30).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 444.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 35066726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).