(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide

C16H15BrN2O2 — CID 115343777

IUPAC(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Br)cc1NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-8-5-12(17)10-14(15)19-16(20)9-4-11-2-6-13(18)7-3-11/h2-10H,18H2,1H3,(H,19,20)/b9-4+
InChIKeySWDNRCHQCDESOU-RUDMXATFSA-N
MW347.21 g/mol
LogP3.69
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide (PubChem CID 115343777) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide
PubChem CID115343777
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Br)cc1NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-8-5-12(17)10-14(15)19-16(20)9-4-11-2-6-13(18)7-3-11/h2-10H,18H2,1H3,(H,19,20)/b9-4+
InChIKeySWDNRCHQCDESOU-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

N-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 76890359
N-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76890361
(E)-N-(5-bromo-2-methoxyphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 94637515
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
(E)-3-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 6025660
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
methyl 5-bromo-2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoate
CID 5090353
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide (CID 115343777) is (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide is COc1ccc(Br)cc1NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The InChIKey is SWDNRCHQCDESOU-RUDMXATFSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-15-8-5-12(17)10-14(15)19-16(20)9-4-11-2-6-13(18)7-3-11/h2-10H,18H2,1H3,(H,19,20)/b9-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(5-bromo-2-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)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 115343777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).