(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide

C15H10F3NO — CID 101479508

IUPAC(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C15H10F3NO/c16-11-8-12(17)15(18)13(9-11)19-14(20)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,20)/b7-6+
InChIKeyKPYMIIRNRUVMEO-VOTSOKGWSA-N
MW277.25 g/mol
LogP3.76
Rot. Bonds3

About (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide

(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide (PubChem CID 101479508) has the molecular formula C15H10F3NO and a molecular weight of 277.25 g/mol. Its IUPAC name is (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
PubChem CID101479508
Molecular FormulaC15H10F3NO
Molecular Weight277.25 g/mol
Exact Mass277.07
IUPAC Name(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C15H10F3NO/c16-11-8-12(17)15(18)13(9-11)19-14(20)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,20)/b7-6+
InChIKeyKPYMIIRNRUVMEO-VOTSOKGWSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
CID 43600104
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
CID 74868716
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
4-(2,4-difluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 67343940
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
2-phenyl-2-(2,3,5-trifluoroanilino)acetic acid
CID 103249643
phenyl N-(2,3,5-trifluorophenyl)carbamate
CID 64592474
3,4-bis[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 35209489

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide (CID 101479508) is (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cc(F)cc(F)c1F.
What is the InChIKey of (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide?
The InChIKey is KPYMIIRNRUVMEO-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H10F3NO/c16-11-8-12(17)15(18)13(9-11)19-14(20)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,20)/b7-6+.
What are the key properties of (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide?
(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide has a molecular weight of 277.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 101479508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).