(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide

C15H11F2NO2 — CID 170876774

IUPAC(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2NO2/c16-12-7-6-11(9-13(12)17)20-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,(H2,18,19)/b8-5-
InChIKeyGBRKFCRXGFOEAA-YVMONPNESA-N
MW275.25 g/mol
LogP3.26
Rot. Bonds4

About (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide

(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide (PubChem CID 170876774) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
PubChem CID170876774
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccccc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F2NO2/c16-12-7-6-11(9-13(12)17)20-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,(H2,18,19)/b8-5-
InChIKeyGBRKFCRXGFOEAA-YVMONPNESA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
CID 170876770
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
2-(3,4-difluorophenoxy)-6-fluorobenzoic acid
CID 79510931
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide (CID 170876774) is (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide is NC(=O)/C=C\c1ccccc1Oc1ccc(F)c(F)c1.
What is the InChIKey of (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide?
The InChIKey is GBRKFCRXGFOEAA-YVMONPNESA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-12-7-6-11(9-13(12)17)20-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,(H2,18,19)/b8-5-.
What are the key properties of (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide?
(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide has a molecular weight of 275.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 170876774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).