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

C15H13BrN2O — CID 20786027

IUPAC(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O/c16-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)17/h1-10H,17H2,(H,18,19)/b10-7+
InChIKeyGZJIMHMVQYBZQJ-JXMROGBWSA-N
MW317.19 g/mol
LogP3.68
Rot. Bonds3

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

(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide (PubChem CID 20786027) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
PubChem CID20786027
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
SMILESNc1ccccc1NC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2O/c16-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)17/h1-10H,17H2,(H,18,19)/b10-7+
InChIKeyGZJIMHMVQYBZQJ-JXMROGBWSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.68
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

N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975
N-(2-aminophenyl)-3-[4-[2-(4-bromoanilino)-1-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 68513621
(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001546
3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001544
4-[4-[3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-N-(4-bromophenyl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 75230820
(E)-N-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-N-(2-aminophenyl)-3-[4-[2-(4-bromoanilino)-1-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 59238289

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide (CID 20786027) is (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide is Nc1ccccc1NC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide?
The InChIKey is GZJIMHMVQYBZQJ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-12-8-5-11(6-9-12)7-10-15(19)18-14-4-2-1-3-13(14)17/h1-10H,17H2,(H,18,19)/b10-7+.
What are the key properties of (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide?
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide has a molecular weight of 317.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide is sourced from PubChem (CID 20786027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).