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

C16H13BrFNO — CID 7924760

IUPAC(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NCc1ccccc1F
InChIInChI=1S/C16H13BrFNO/c17-14-6-3-4-12(10-14)8-9-16(20)19-11-13-5-1-2-7-15(13)18/h1-10H,11H2,(H,19,20)/b9-8+
InChIKeyAMHAYBAJKIOGFQ-CMDGGOBGSA-N
MW334.19 g/mol
LogP3.92
Rot. Bonds4

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

(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide (PubChem CID 7924760) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
PubChem CID7924760
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)NCc1ccccc1F
InChIInChI=1S/C16H13BrFNO/c17-14-6-3-4-12(10-14)8-9-16(20)19-11-13-5-1-2-7-15(13)18/h1-10H,11H2,(H,19,20)/b9-8+
InChIKeyAMHAYBAJKIOGFQ-CMDGGOBGSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781
(E)-N-[2-(2-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 8643288
(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099
(E)-3-(3-bromophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636560
3-(3-bromophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905377
(E)-3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]prop-2-enamide
CID 83058983
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571
3-[3-(3-bromophenyl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113748
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(3-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8968951

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide (CID 7924760) is (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)NCc1ccccc1F.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
The InChIKey is AMHAYBAJKIOGFQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-14-6-3-4-12(10-14)8-9-16(20)19-11-13-5-1-2-7-15(13)18/h1-10H,11H2,(H,19,20)/b9-8+.
What are the key properties of (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide?
(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide has a molecular weight of 334.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 7924760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).