(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C18H17F2NO3 — CID 9192668

IUPAC(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO3/c1-12-3-9-16(23-2)13(11-12)4-10-17(22)21-14-5-7-15(8-6-14)24-18(19)20/h3-11,18H,1-2H3,(H,21,22)/b10-4+
InChIKeyAWNCMKNZQWHGNR-ONNFQVAWSA-N
MW333.33 g/mol
LogP4.26
Rot. Bonds6

About (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 9192668) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID9192668
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H17F2NO3/c1-12-3-9-16(23-2)13(11-12)4-10-17(22)21-14-5-7-15(8-6-14)24-18(19)20/h3-11,18H,1-2H3,(H,21,22)/b10-4+
InChIKeyAWNCMKNZQWHGNR-ONNFQVAWSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-3-(2-methoxy-5-methylphenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 134062957
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 4563686
(2S)-2-(4-fluorophenoxy)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9160111
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 8571908
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 1371675
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 9192668) is (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is AWNCMKNZQWHGNR-ONNFQVAWSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-12-3-9-16(23-2)13(11-12)4-10-17(22)21-14-5-7-15(8-6-14)24-18(19)20/h3-11,18H,1-2H3,(H,21,22)/b10-4+.
What are the key properties of (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 333.33 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9192668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).