(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide

C15H11BrFNO — CID 8713833

IUPAC(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(Br)c1
InChIInChI=1S/C15H11BrFNO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)/b9-8+
InChIKeyTXZXXSNBTBYONI-CMDGGOBGSA-N
MW320.16 g/mol
LogP4.24
Rot. Bonds3

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

(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 8713833) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID8713833
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1F)Nc1cccc(Br)c1
InChIInChI=1S/C15H11BrFNO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)/b9-8+
InChIKeyTXZXXSNBTBYONI-CMDGGOBGSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.24
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)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 26240448
(E)-3-(2-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933370
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
CID 34830510
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
4-(3-bromoanilino)-4-oxobut-2-enoic acid
CID 708585
(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30267608
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
methyl 3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]benzoate
CID 26886813
(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
CID 878957

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide (CID 8713833) is (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1F)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is TXZXXSNBTBYONI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-10H,(H,18,19)/b9-8+.
What are the key properties of (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 320.16 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8713833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).