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

C19H18F2N2O5 — CID 26025403

IUPACN'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C19H18F2N2O5/c1-26-15-9-7-13(11-16(15)27-2)18(25)23-22-17(24)10-8-12-5-3-4-6-14(12)28-19(20)21/h3-11,19H,1-2H3,(H,22,24)(H,23,25)/b10-8+
InChIKeyYCBXLRWTSICATG-CSKARUKUSA-N
MW392.36 g/mol
LogP2.78
Rot. Bonds7

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

N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 26025403) has the molecular formula C19H18F2N2O5 and a molecular weight of 392.36 g/mol. Its IUPAC name is N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
PubChem CID26025403
Molecular FormulaC19H18F2N2O5
Molecular Weight392.36 g/mol
Exact Mass392.12
IUPAC NameN'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC
InChIInChI=1S/C19H18F2N2O5/c1-26-15-9-7-13(11-16(15)27-2)18(25)23-22-17(24)10-8-12-5-3-4-6-14(12)28-19(20)21/h3-11,19H,1-2H3,(H,22,24)(H,23,25)/b10-8+
InChIKeyYCBXLRWTSICATG-CSKARUKUSA-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'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 24609581
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
3,4-dimethoxy-N-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 108935148
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
(E)-3-[2-(difluoromethoxy)phenyl]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]prop-2-enamide
CID 55747210
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16594479
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55615883

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide (CID 26025403) is N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(F)F)cc1OC.
What is the InChIKey of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is YCBXLRWTSICATG-CSKARUKUSA-N. The full InChI is InChI=1S/C19H18F2N2O5/c1-26-15-9-7-13(11-16(15)27-2)18(25)23-22-17(24)10-8-12-5-3-4-6-14(12)28-19(20)21/h3-11,19H,1-2H3,(H,22,24)(H,23,25)/b10-8+.
What are the key properties of N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide?
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-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'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 26025403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).