(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide

C17H15FN2O2 — CID 2671059

IUPAC(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2/c1-12(21)19-15-3-2-4-16(11-15)20-17(22)10-7-13-5-8-14(18)9-6-13/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+
InChIKeyYOOMZLIRDYFGCM-JXMROGBWSA-N
MW298.32 g/mol
LogP3.44
Rot. Bonds4

About (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 2671059) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID2671059
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C17H15FN2O2/c1-12(21)19-15-3-2-4-16(11-15)20-17(22)10-7-13-5-8-14(18)9-6-13/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+
InChIKeyYOOMZLIRDYFGCM-JXMROGBWSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
(E)-3-(4-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 38032223
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
N-(4-fluorophenyl)-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 26158897
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]benzoate
CID 34059862

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 2671059) is (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide is CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is YOOMZLIRDYFGCM-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(21)19-15-3-2-4-16(11-15)20-17(22)10-7-13-5-8-14(18)9-6-13/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+.
What are the key properties of (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 298.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 2671059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).