(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

C20H21F2NO2 — CID 7920115

IUPAC(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCC(C)(C)c1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21F2NO2/c1-20(2,3)16-6-4-5-7-17(16)23-18(24)13-10-14-8-11-15(12-9-14)25-19(21)22/h4-13,19H,1-3H3,(H,23,24)/b13-10+
InChIKeyBWPVBXSYWKFKSA-JLHYYAGUSA-N
MW345.39 g/mol
LogP5.24
Rot. Bonds5

About (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 7920115) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID7920115
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCC(C)(C)c1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21F2NO2/c1-20(2,3)16-6-4-5-7-17(16)23-18(24)13-10-14-8-11-15(12-9-14)25-19(21)22/h4-13,19H,1-3H3,(H,23,24)/b13-10+
InChIKeyBWPVBXSYWKFKSA-JLHYYAGUSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.39
LogP ≤ 55.24
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

(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751
(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 26356583
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
(Z)-3-[4-(difluoromethoxy)phenyl]-N-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19394362
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884920
(E)-3-(3-aminophenyl)-N-(2-tert-butylphenyl)prop-2-enamide
CID 39403849

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CID 7920115) is (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is CC(C)(C)c1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is BWPVBXSYWKFKSA-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-20(2,3)16-6-4-5-7-17(16)23-18(24)13-10-14-8-11-15(12-9-14)25-19(21)22/h4-13,19H,1-3H3,(H,23,24)/b13-10+.
What are the key properties of (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 345.39 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 7920115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).