4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide

C18H16F5N3O4 — CID 55527987

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NNc2cccc(C(F)(F)F)c2)ccc1OC(F)F
InChIInChI=1S/C18H16F5N3O4/c1-29-14-7-10(5-6-13(14)30-17(19)20)16(28)24-9-15(27)26-25-12-4-2-3-11(8-12)18(21,22)23/h2-8,17,25H,9H2,1H3,(H,24,28)(H,26,27)
InChIKeyQEEGXKPASPKYLU-UHFFFAOYSA-N
MW433.33 g/mol
LogP3.19
Rot. Bonds8

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

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide (PubChem CID 55527987) has the molecular formula C18H16F5N3O4 and a molecular weight of 433.33 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide
PubChem CID55527987
Molecular FormulaC18H16F5N3O4
Molecular Weight433.33 g/mol
Exact Mass433.11
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NNc2cccc(C(F)(F)F)c2)ccc1OC(F)F
InChIInChI=1S/C18H16F5N3O4/c1-29-14-7-10(5-6-13(14)30-17(19)20)16(28)24-9-15(27)26-25-12-4-2-3-11(8-12)18(21,22)23/h2-8,17,25H,9H2,1H3,(H,24,28)(H,26,27)
InChIKeyQEEGXKPASPKYLU-UHFFFAOYSA-N
XLogP3.19
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
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
4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55923560
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-(quinoline-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 35066726

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide (CID 55527987) is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide is COc1cc(C(=O)NCC(=O)NNc2cccc(C(F)(F)F)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide?
The InChIKey is QEEGXKPASPKYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N3O4/c1-29-14-7-10(5-6-13(14)30-17(19)20)16(28)24-9-15(27)26-25-12-4-2-3-11(8-12)18(21,22)23/h2-8,17,25H,9H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide has a molecular weight of 433.33 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 55527987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).