(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

C16H13F3N2O — CID 84553251

IUPAC(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-4-8-14(9-5-12)21-15(22)10-3-11-1-6-13(20)7-2-11/h1-10H,20H2,(H,21,22)/b10-3+
InChIKeyXBLQBSNFFWYVRY-XCVCLJGOSA-N
MW306.29 g/mol
LogP3.94
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 84553251) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID84553251
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)12-4-8-14(9-5-12)21-15(22)10-3-11-1-6-13(20)7-2-11/h1-10H,20H2,(H,21,22)/b10-3+
InChIKeyXBLQBSNFFWYVRY-XCVCLJGOSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9097940
(E)-N-(2-amino-1,3-benzothiazol-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;ethane
CID 142253716
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050
2-[[4-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]benzoyl]amino]acetic acid
CID 84552256
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
N-(6-methylsulfonyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126810225
(E)-N-(4-amino-2-ethylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 10150552

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 84553251) is (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is XBLQBSNFFWYVRY-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)12-4-8-14(9-5-12)21-15(22)10-3-11-1-6-13(20)7-2-11/h1-10H,20H2,(H,21,22)/b10-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 306.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 84553251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).