N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide

C19H18F2N2O5 — CID 4813321

IUPACN'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H18F2N2O5/c1-26-15-9-13(10-16(11-15)27-2)18(25)23-22-17(24)8-5-12-3-6-14(7-4-12)28-19(20)21/h3-11,19H,1-2H3,(H,22,24)(H,23,25)
InChIKeyNBJMWAQNULVWGE-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.78
Rot. Bonds7

About N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide

N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide (PubChem CID 4813321) has the molecular formula C19H18F2N2O5 and a molecular weight of 392.36 g/mol. Its IUPAC name is N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide
PubChem CID4813321
Molecular FormulaC19H18F2N2O5
Molecular Weight392.36 g/mol
Exact Mass392.12
IUPAC NameN'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H18F2N2O5/c1-26-15-9-13(10-16(11-15)27-2)18(25)23-22-17(24)8-5-12-3-6-14(7-4-12)28-19(20)21/h3-11,19H,1-2H3,(H,22,24)(H,23,25)
InChIKeyNBJMWAQNULVWGE-UHFFFAOYSA-N
XLogP2.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
CID 7946032
N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-1,3-benzodioxole-5-carbohydrazide
CID 26798718
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-3-[4-(difluoromethoxy)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 6210972
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9496126
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
methyl N-[3-(4-methoxyphenyl)prop-2-enoylamino]carbamate
CID 3316447
1-[3-(difluoromethoxy)phenyl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 4795642
methyl 4-[3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzoate
CID 4811100

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide (CID 4813321) is N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is NBJMWAQNULVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O5/c1-26-15-9-13(10-16(11-15)27-2)18(25)23-22-17(24)8-5-12-3-6-14(7-4-12)28-19(20)21/h3-11,19H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide?
N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 392.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 4813321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).