(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide

C29H23F2NO2 — CID 2328982

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide
SMILESCN(C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H23F2NO2/c1-32(25-13-6-3-7-14-25)28(33)26(20-24-12-8-9-15-27(24)34-29(30)31)23-18-16-22(17-19-23)21-10-4-2-5-11-21/h2-20,29H,1H3/b26-20+
InChIKeyQMUKJDYOASSRCI-LHLOQNFPSA-N
MW455.50 g/mol
LogP7.16
Rot. Bonds7

About (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide (PubChem CID 2328982) has the molecular formula C29H23F2NO2 and a molecular weight of 455.50 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide
PubChem CID2328982
Molecular FormulaC29H23F2NO2
Molecular Weight455.50 g/mol
Exact Mass455.17
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide
SMILESCN(C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H23F2NO2/c1-32(25-13-6-3-7-14-25)28(33)26(20-24-12-8-9-15-27(24)34-29(30)31)23-18-16-22(17-19-23)21-10-4-2-5-11-21/h2-20,29H,1H3/b26-20+
InChIKeyQMUKJDYOASSRCI-LHLOQNFPSA-N
XLogP7.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
CID 965190
N-benzyl-2-(2-methoxyphenyl)-N-(p-tolyl)acetamide
CID 18269413
2-Methoxyphenyl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone
CID 1001404
2-[5-(2-Methoxyphenyl)-2-oxo-1-phenyl-3-pyridinyl]benzonitrile
CID 10134250
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(2,6-dimethoxyphenyl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 10436479
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(3-methoxyphenyl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 10939815
(E)-3-{3-[Cyclohexanecarbonyl-(3''-trifluoromethoxy-biphenyl-4-ylmethyl)-amino]-phenyl}-acrylic acid methyl ester
CID 10940474
(E)-3-[3-(Cyclohexanecarbonyl-{4-[(E)-2-(4-methoxy-phenyl)-vinyl]-benzyl}-amino)-phenyl]-acrylic acid methyl ester
CID 11145640
N,N-diethyl-2-[4-[2-fluoro-4-(2-methoxyphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055745
2-(5-acetyl-2-methoxyphenyl)-N-benzyl-N-phenylacetamide
CID 8894979
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(4-methoxyphenyl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 10863818
methyl (E)-3-[3-[2-methylpropanoyl-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
CID 10918067

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide (CID 2328982) is (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide is CN(C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide?
The InChIKey is QMUKJDYOASSRCI-LHLOQNFPSA-N. The full InChI is InChI=1S/C29H23F2NO2/c1-32(25-13-6-3-7-14-25)28(33)26(20-24-12-8-9-15-27(24)34-29(30)31)23-18-16-22(17-19-23)21-10-4-2-5-11-21/h2-20,29H,1H3/b26-20+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide has a molecular weight of 455.50 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-phenyl-2-(4-phenylphenyl)prop-2-enamide is sourced from PubChem (CID 2328982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).