(Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide

C18H16BrFN2O2 — CID 93002580

IUPAC(Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1Br)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H16BrFN2O2/c1-12(23)22-17(10-14-4-2-3-5-16(14)19)18(24)21-11-13-6-8-15(20)9-7-13/h2-10H,11H2,1H3,(H,21,24)(H,22,23)/b17-10-
InChIKeyKWAPXUTYRNEHMV-YVLHZVERSA-N
MW391.24 g/mol
LogP3.38
Rot. Bonds5

About (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide

(Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (PubChem CID 93002580) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
PubChem CID93002580
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name(Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1Br)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H16BrFN2O2/c1-12(23)22-17(10-14-4-2-3-5-16(14)19)18(24)21-11-13-6-8-15(20)9-7-13/h2-10H,11H2,1H3,(H,21,24)(H,22,23)/b17-10-
InChIKeyKWAPXUTYRNEHMV-YVLHZVERSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide (CID 93002580) is (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is CC(=O)N/C(=C\c1ccccc1Br)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is KWAPXUTYRNEHMV-YVLHZVERSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c1-12(23)22-17(10-14-4-2-3-5-16(14)19)18(24)21-11-13-6-8-15(20)9-7-13/h2-10H,11H2,1H3,(H,21,24)(H,22,23)/b17-10-.
What are the key properties of (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide?
(Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 391.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 93002580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).