(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide

C22H15BrN2O2 — CID 2477044

IUPAC(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H15BrN2O2/c23-18-8-6-7-16(14-18)13-17(15-24)22(26)25-20-11-4-5-12-21(20)27-19-9-2-1-3-10-19/h1-14H,(H,25,26)/b17-13-
InChIKeyUEKOPYIRUDTYBO-LGMDPLHJSA-N
MW419.28 g/mol
LogP5.79
Rot. Bonds5

About (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide

(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 2477044) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide
PubChem CID2477044
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC Name(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide
SMILESN#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H15BrN2O2/c23-18-8-6-7-16(14-18)13-17(15-24)22(26)25-20-11-4-5-12-21(20)27-19-9-2-1-3-10-19/h1-14H,(H,25,26)/b17-13-
InChIKeyUEKOPYIRUDTYBO-LGMDPLHJSA-N
XLogP5.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]phenyl]benzamide
CID 3901956
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
(Z)-2-cyano-N-(2-fluorophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 124656696
(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 2097168
2-cyano-3-(4-morpholin-4-ylphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 3421130
(E)-3-(3-bromophenyl)-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
CID 6087648
(Z)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 20834830
3-(3-bromo-4-methoxyphenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 3561943
(Z)-3-(3-bromophenyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyanoprop-2-enamide
CID 2095113
N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 2883454
(E)-3-(3-bromophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 27129765
(E)-2-cyano-N-(2-fluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 7480752

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide (CID 2477044) is (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide is N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is UEKOPYIRUDTYBO-LGMDPLHJSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-18-8-6-7-16(14-18)13-17(15-24)22(26)25-20-11-4-5-12-21(20)27-19-9-2-1-3-10-19/h1-14H,(H,25,26)/b17-13-.
What are the key properties of (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide?
(Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide has a molecular weight of 419.28 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-bromophenyl)-2-cyano-N-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2477044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).