(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide

C18H16F2N2O3 — CID 34033287

IUPAC(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F2N2O3/c1-12(23)21-16(11-13-5-3-2-4-6-13)17(24)22-14-7-9-15(10-8-14)25-18(19)20/h2-11,18H,1H3,(H,21,23)(H,22,24)/b16-11+
InChIKeyJWAJIKSJVGKEDY-LFIBNONCSA-N
MW346.33 g/mol
LogP3.40
Rot. Bonds6

About (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide

(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide (PubChem CID 34033287) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
PubChem CID34033287
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F2N2O3/c1-12(23)21-16(11-13-5-3-2-4-6-13)17(24)22-14-7-9-15(10-8-14)25-18(19)20/h2-11,18H,1H3,(H,21,23)(H,22,24)/b16-11+
InChIKeyJWAJIKSJVGKEDY-LFIBNONCSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
(Z)-2-acetamido-N-[4-(2-ethoxyethoxy)phenyl]-3-phenylprop-2-enamide
CID 17130603
2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
CID 4947913
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620
3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
CID 3426946
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(Z)-2-acetamido-N-(9H-fluoren-3-yl)-3-phenylprop-2-enamide
CID 9378259

Frequently Asked Questions

What is the IUPAC name of (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide (CID 34033287) is (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide is CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
The InChIKey is JWAJIKSJVGKEDY-LFIBNONCSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-12(23)21-16(11-13-5-3-2-4-6-13)17(24)22-14-7-9-15(10-8-14)25-18(19)20/h2-11,18H,1H3,(H,21,23)(H,22,24)/b16-11+.
What are the key properties of (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide?
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide has a molecular weight of 346.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 34033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).