(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

C20H20F3N3O3 — CID 60555480

IUPAC(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H20F3N3O3/c1-13(2)24-19(28)26-16-9-5-4-8-15(16)25-18(27)12-11-14-7-3-6-10-17(14)29-20(21,22)23/h3-13H,1-2H3,(H,25,27)(H2,24,26,28)/b12-11+
InChIKeyUZNMJTGWKKOQKL-VAWYXSNFSA-N
MW407.39 g/mol
LogP4.77
Rot. Bonds6

About (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 60555480) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID60555480
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F
InChIInChI=1S/C20H20F3N3O3/c1-13(2)24-19(28)26-16-9-5-4-8-15(16)25-18(27)12-11-14-7-3-6-10-17(14)29-20(21,22)23/h3-13H,1-2H3,(H,25,27)(H2,24,26,28)/b12-11+
InChIKeyUZNMJTGWKKOQKL-VAWYXSNFSA-N
XLogP4.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 54.77
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

N-propan-2-yl-3-[[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]cyclohexane-1-carboxamide
CID 86962107
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55615883
N-[4-[1-[[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468236
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
N-methyl-4-[(E)-3-oxo-3-[2-(propan-2-ylcarbamoylamino)anilino]prop-1-enyl]benzamide
CID 98906428
(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 35205096
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55980324
1-(1-phenylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 4598212
(E)-3-(1-benzofuran-2-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 60555532
(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 103971309
(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 16572166

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 60555480) is (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is CC(C)NC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F.
What is the InChIKey of (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is UZNMJTGWKKOQKL-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-13(2)24-19(28)26-16-9-5-4-8-15(16)25-18(27)12-11-14-7-3-6-10-17(14)29-20(21,22)23/h3-13H,1-2H3,(H,25,27)(H2,24,26,28)/b12-11+.
What are the key properties of (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 407.39 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(propan-2-ylcarbamoylamino)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 60555480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).