(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide

C18H17F2N3O3 — CID 36824573

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide
SMILESCNC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1
InChIInChI=1S/C18H17F2N3O3/c1-21-18(25)23-14-7-4-6-13(11-14)22-16(24)10-9-12-5-2-3-8-15(12)26-17(19)20/h2-11,17H,1H3,(H,22,24)(H2,21,23,25)/b10-9+
InChIKeyFPNJYQWVRHJJBW-MDZDMXLPSA-N
MW361.35 g/mol
LogP3.69
Rot. Bonds6

About (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide (PubChem CID 36824573) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide
PubChem CID36824573
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide
SMILESCNC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1
InChIInChI=1S/C18H17F2N3O3/c1-21-18(25)23-14-7-4-6-13(11-14)22-16(24)10-9-12-5-2-3-8-15(12)26-17(19)20/h2-11,17H,1H3,(H,22,24)(H2,21,23,25)/b10-9+
InChIKeyFPNJYQWVRHJJBW-MDZDMXLPSA-N
XLogP3.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.69
H-Bond Donors ≤ 53
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-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
N-[3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 7947701
3-[2-(difluoromethoxy)phenyl]-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)prop-2-enamide
CID 55727691
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
CID 32577241
N-[4-[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]phenyl]cyclopropanecarboxamide
CID 24601687
S-[4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoylamino]phenyl] N,N-dimethylcarbamothioate
CID 72686946
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55615883
(E)-N-tert-butyl-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 47137697
3-[2-(difluoromethoxy)phenyl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)prop-2-enamide
CID 103599180
(E)-N-(2,4-dibromophenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16591585
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16594479
(E)-3-[2-(difluoromethoxy)phenyl]-N-[4-(sulfamoylmethyl)phenyl]prop-2-enamide
CID 134019456

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide (CID 36824573) is (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide is CNC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide?
The InChIKey is FPNJYQWVRHJJBW-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-21-18(25)23-14-7-4-6-13(11-14)22-16(24)10-9-12-5-2-3-8-15(12)26-17(19)20/h2-11,17H,1H3,(H,22,24)(H2,21,23,25)/b10-9+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide has a molecular weight of 361.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 36824573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).