(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide

C21H16BrNO2 — CID 1001546

IUPAC(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16BrNO2/c22-17-13-10-16(11-14-17)12-15-21(24)23-19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-15H,(H,23,24)/b15-12+
InChIKeySCIAJBCOZNBKDU-NTCAYCPXSA-N
MW394.27 g/mol
LogP5.89
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide

(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 1001546) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
PubChem CID1001546
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC Name(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16BrNO2/c22-17-13-10-16(11-14-17)12-15-21(24)23-19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-15H,(H,23,24)/b15-12+
InChIKeySCIAJBCOZNBKDU-NTCAYCPXSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 55.89
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

3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001544
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
4-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174534966
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
(E)-3-(furan-2-yl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2668862
(E)-N-(5-chloro-2-phenoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551959
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 4169968
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide (CID 1001546) is (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is SCIAJBCOZNBKDU-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H16BrNO2/c22-17-13-10-16(11-14-17)12-15-21(24)23-19-8-4-5-9-20(19)25-18-6-2-1-3-7-18/h1-15H,(H,23,24)/b15-12+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide has a molecular weight of 394.27 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1001546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).