N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide

C17H13F3N2O3 — CID 7946032

IUPACN'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13F3N2O3/c18-13-6-4-12(5-7-13)16(24)22-21-15(23)10-3-11-1-8-14(9-2-11)25-17(19)20/h1-10,17H,(H,21,23)(H,22,24)/b10-3+
InChIKeyUMSRGUNVPMVTJV-XCVCLJGOSA-N
MW350.30 g/mol
LogP2.90
Rot. Bonds5

About N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide

N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide (PubChem CID 7946032) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
PubChem CID7946032
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC NameN'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13F3N2O3/c18-13-6-4-12(5-7-13)16(24)22-21-15(23)10-3-11-1-8-14(9-2-11)25-17(19)20/h1-10,17H,(H,21,23)(H,22,24)/b10-3+
InChIKeyUMSRGUNVPMVTJV-XCVCLJGOSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide
CID 4813315
N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide
CID 4813321
N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide
CID 26798718
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]benzamide
CID 3299354
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 3415517
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
CID 2741847
4-[(Z)-3-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 132972832
4-[(E)-3-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 42947503
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
methyl 4-[3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzoate
CID 4811100

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide (CID 7946032) is N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide is O=C(/C=C/c1ccc(OC(F)F)cc1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide?
The InChIKey is UMSRGUNVPMVTJV-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-13-6-4-12(5-7-13)16(24)22-21-15(23)10-3-11-1-8-14(9-2-11)25-17(19)20/h1-10,17H,(H,21,23)(H,22,24)/b10-3+.
What are the key properties of N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide?
N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide has a molecular weight of 350.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 7946032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).