(E)-3-(4-bromophenyl)-N-phenylprop-2-enamide

C15H12BrNO — CID 6271440

IUPAC(E)-3-(4-bromophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C15H12BrNO/c16-13-9-6-12(7-10-13)8-11-15(18)17-14-4-2-1-3-5-14/h1-11H,(H,17,18)/b11-8+
InChIKeyNJBLUNMQEZGATC-DHZHZOJOSA-N
MW302.17 g/mol
LogP4.10
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide

(E)-3-(4-bromophenyl)-N-phenylprop-2-enamide (PubChem CID 6271440) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-phenylprop-2-enamide
PubChem CID6271440
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(E)-3-(4-bromophenyl)-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C15H12BrNO/c16-13-9-6-12(7-10-13)8-11-15(18)17-14-4-2-1-3-5-14/h1-11H,(H,17,18)/b11-8+
InChIKeyNJBLUNMQEZGATC-DHZHZOJOSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.10
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

Cinnamanilide
CID 690158
Benzamide, N-(3-bromophenyl)-
CID 202396
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
Carbostyril, 3-bromo-4-methyl-
CID 37832
Benzamide, N-(4-bromophenyl)-
CID 101357
8-Bromo-1,2-dihydroquinolin-2-one
CID 10933094
n-(4-Bromophenyl)prop-2-enamide
CID 263609
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
4'-Bromo-4-methylbenzanilide
CID 531830
2-Bromo-N-M-tolyl-benzamide
CID 532187

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide (CID 6271440) is (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide?
The InChIKey is NJBLUNMQEZGATC-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-9-6-12(7-10-13)8-11-15(18)17-14-4-2-1-3-5-14/h1-11H,(H,17,18)/b11-8+.
What are the key properties of (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-phenylprop-2-enamide has a molecular weight of 302.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 6271440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).