(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one

C15H12BrNO — CID 2244710

IUPAC(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H12BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H/b11-10+
InChIKeyDINWXOROCPBAQA-ZHACJKMWSA-N
MW302.17 g/mol
LogP4.26
Rot. Bonds4

About (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one

(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one (PubChem CID 2244710) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
PubChem CID2244710
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H12BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H/b11-10+
InChIKeyDINWXOROCPBAQA-ZHACJKMWSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
(E)-1-phenyl-3-(4-phenyldiazenylanilino)prop-2-en-1-one
CID 39346357
(Z)-1-(4-bromophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-en-1-one
CID 18530697
(E)-1-(4-bromophenyl)-3-(4-propan-2-ylanilino)prop-2-en-1-one
CID 51042955
(Z)-3-[4-(benzenesulfonyl)anilino]-1-phenylprop-2-en-1-one
CID 26457725
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
1-(4-bromophenyl)-3-(3,4-difluoroanilino)prop-2-en-1-one
CID 887227
ethyl 4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 2189654
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(E)-1-(4-bromophenyl)-3-(2-chloroanilino)prop-2-en-1-one
CID 51042951
3-(2-aminoanilino)-1-(4-bromophenyl)prop-2-en-1-one
CID 171157320

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one (CID 2244710) is (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one is O=C(/C=C/Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one?
The InChIKey is DINWXOROCPBAQA-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-6-8-14(9-7-13)17-11-10-15(18)12-4-2-1-3-5-12/h1-11,17H/b11-10+.
What are the key properties of (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one?
(E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one has a molecular weight of 302.17 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromoanilino)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2244710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).