(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide

C17H16FNO — CID 110297035

IUPAC(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H16FNO/c1-13(14-7-3-2-4-8-14)11-17(20)19-12-15-9-5-6-10-16(15)18/h2-11H,12H2,1H3,(H,19,20)/b13-11+
InChIKeyUQSADECZRXGEPG-ACCUITESSA-N
MW269.32 g/mol
LogP3.55
Rot. Bonds4

About (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide

(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide (PubChem CID 110297035) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
PubChem CID110297035
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide
SMILESC/C(=C\C(=O)NCc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H16FNO/c1-13(14-7-3-2-4-8-14)11-17(20)19-12-15-9-5-6-10-16(15)18/h2-11H,12H2,1H3,(H,19,20)/b13-11+
InChIKeyUQSADECZRXGEPG-ACCUITESSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099
(E)-3-phenyl-N-prop-2-enylbut-2-enamide
CID 6435359
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
(Z)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(3-fluorophenyl)but-2-enamide
CID 86950457
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide?
The IUPAC name of (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide (CID 110297035) is (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide.
What is the SMILES notation for (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide?
The canonical SMILES for (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide is C/C(=C\C(=O)NCc1ccccc1F)c1ccccc1.
What is the InChIKey of (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide?
The InChIKey is UQSADECZRXGEPG-ACCUITESSA-N. The full InChI is InChI=1S/C17H16FNO/c1-13(14-7-3-2-4-8-14)11-17(20)19-12-15-9-5-6-10-16(15)18/h2-11H,12H2,1H3,(H,19,20)/b13-11+.
What are the key properties of (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide?
(E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide has a molecular weight of 269.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-fluorophenyl)methyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 110297035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).