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

C18H16F2N2O3 — CID 4813315

IUPACN'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H16F2N2O3/c1-12-2-7-14(8-3-12)17(24)22-21-16(23)11-6-13-4-9-15(10-5-13)25-18(19)20/h2-11,18H,1H3,(H,21,23)(H,22,24)
InChIKeySGZBDWSYCDLDRW-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.07
Rot. Bonds5

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

N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide (PubChem CID 4813315) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide
PubChem CID4813315
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC NameN'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H16F2N2O3/c1-12-2-7-14(8-3-12)17(24)22-21-16(23)11-6-13-4-9-15(10-5-13)25-18(19)20/h2-11,18H,1H3,(H,21,23)(H,22,24)
InChIKeySGZBDWSYCDLDRW-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.07
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'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
CID 7946032
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
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
4-[(E)-3-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 42947503
4-[(Z)-3-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 132972832
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
ethyl (E)-3-[4-[[4-(difluoromethoxy)benzoyl]amino]phenyl]prop-2-enoate
CID 27902221
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]-4-methylbenzohydrazide?
The IUPAC name of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide (CID 4813315) is N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)C=Cc2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide?
The InChIKey is SGZBDWSYCDLDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-12-2-7-14(8-3-12)17(24)22-21-16(23)11-6-13-4-9-15(10-5-13)25-18(19)20/h2-11,18H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide?
N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide has a molecular weight of 346.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 4813315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).