(E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide

C16H14Br2N2O — CID 115342754

IUPAC(E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide
SMILESCc1cc(Br)c(NC(=O)/C=C/c2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O/c1-10-8-13(17)16(14(18)9-10)20-15(21)7-4-11-2-5-12(19)6-3-11/h2-9H,19H2,1H3,(H,20,21)/b7-4+
InChIKeyKAJSANXOXWWKOB-QPJJXVBHSA-N
MW410.11 g/mol
LogP4.75
Rot. Bonds3

About (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide (PubChem CID 115342754) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide
PubChem CID115342754
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name(E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide
SMILESCc1cc(Br)c(NC(=O)/C=C/c2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C16H14Br2N2O/c1-10-8-13(17)16(14(18)9-10)20-15(21)7-4-11-2-5-12(19)6-3-11/h2-9H,19H2,1H3,(H,20,21)/b7-4+
InChIKeyKAJSANXOXWWKOB-QPJJXVBHSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-3-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)prop-2-enamide
CID 82757480
(E)-3-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 896371
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
(E)-3-(4-aminophenyl)-N-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 115343777
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
(E)-3-(3-bromo-4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 1184644
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 17341892
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide (CID 115342754) is (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide is Cc1cc(Br)c(NC(=O)/C=C/c2ccc(N)cc2)c(Br)c1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide?
The InChIKey is KAJSANXOXWWKOB-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c1-10-8-13(17)16(14(18)9-10)20-15(21)7-4-11-2-5-12(19)6-3-11/h2-9H,19H2,1H3,(H,20,21)/b7-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide has a molecular weight of 410.11 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 115342754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).