(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C16H15BrN2O2 — CID 100829899

IUPAC(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17/h2-10H,18H2,1H3,(H,19,20)/b9-4+
InChIKeyDDLTYAZZLPLZLF-RUDMXATFSA-N
MW347.21 g/mol
LogP3.69
Rot. Bonds4

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

(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 100829899) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID100829899
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17/h2-10H,18H2,1H3,(H,19,20)/b9-4+
InChIKeyDDLTYAZZLPLZLF-RUDMXATFSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-bromo-4-tert-butylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 53268497
(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 102695194
methyl 5-bromo-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19168701
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 115343777
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
(E)-3-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)prop-2-enamide
CID 82757480

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 100829899) is (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(N)cc2Br)cc1.
What is the InChIKey of (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is DDLTYAZZLPLZLF-RUDMXATFSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-15-8-5-12(18)10-14(15)17/h2-10H,18H2,1H3,(H,19,20)/b9-4+.
What are the key properties of (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 347.21 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 100829899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).