4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide

C18H14F4N2O4 — CID 8571908

IUPAC4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1
InChIInChI=1S/C18H14F4N2O4/c19-17(20)27-13-7-3-10(14(9-13)28-18(21)22)4-8-15(25)24-12-5-1-11(2-6-12)16(23)26/h1-9,17-18H,(H2,23,26)(H,24,25)/b8-4+
InChIKeyQREFGUWDAKWQBD-XBXARRHUSA-N
MW398.31 g/mol
LogP3.64
Rot. Bonds8

About 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide

4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide (PubChem CID 8571908) has the molecular formula C18H14F4N2O4 and a molecular weight of 398.31 g/mol. Its IUPAC name is 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
PubChem CID8571908
Molecular FormulaC18H14F4N2O4
Molecular Weight398.31 g/mol
Exact Mass398.09
IUPAC Name4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1
InChIInChI=1S/C18H14F4N2O4/c19-17(20)27-13-7-3-10(14(9-13)28-18(21)22)4-8-15(25)24-12-5-1-11(2-6-12)16(23)26/h1-9,17-18H,(H2,23,26)(H,24,25)/b8-4+
InChIKeyQREFGUWDAKWQBD-XBXARRHUSA-N
XLogP3.64
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]prop-2-enamide
CID 55560587
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]prop-2-enamide
CID 41359971
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
CID 55635307
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9192668
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
CID 60605508
(E)-4-[4-(difluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 702461
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34745108
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480899
(E)-N-[4-(difluoromethoxy)phenyl]-4-(3,4-difluorophenyl)-4-oxobut-2-enamide
CID 9046548

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide?
The IUPAC name of 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide (CID 8571908) is 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide?
The canonical SMILES for 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide is NC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1.
What is the InChIKey of 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide?
The InChIKey is QREFGUWDAKWQBD-XBXARRHUSA-N. The full InChI is InChI=1S/C18H14F4N2O4/c19-17(20)27-13-7-3-10(14(9-13)28-18(21)22)4-8-15(25)24-12-5-1-11(2-6-12)16(23)26/h1-9,17-18H,(H2,23,26)(H,24,25)/b8-4+.
What are the key properties of 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide?
4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide has a molecular weight of 398.31 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 8571908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).