(E)-3-(2-amino-5-bromophenyl)prop-2-enamide

C9H9BrN2O — CID 129410638

IUPAC(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(Br)ccc1N
InChIInChI=1S/C9H9BrN2O/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,11H2,(H2,12,13)/b4-1+
InChIKeyRCGMWTQHFPMPJA-DAFODLJHSA-N
MW241.09 g/mol
LogP1.53
Rot. Bonds2

About (E)-3-(2-amino-5-bromophenyl)prop-2-enamide

(E)-3-(2-amino-5-bromophenyl)prop-2-enamide (PubChem CID 129410638) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (E)-3-(2-amino-5-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
PubChem CID129410638
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(Br)ccc1N
InChIInChI=1S/C9H9BrN2O/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,11H2,(H2,12,13)/b4-1+
InChIKeyRCGMWTQHFPMPJA-DAFODLJHSA-N
XLogP1.53
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.53
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

3-(2-amino-5-bromophenyl)prop-2-enoic acid
CID 154064059
methyl (E)-3-(2-amino-5-bromophenyl)prop-2-enoate
CID 12534991
3-(2-amino-5-methylphenyl)prop-2-enamide
CID 169481556
3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482776
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
(E)-3-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 134717207
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
(E)-3-(2-aminophenyl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
CID 6474698
tert-butyl N-[4-(2-amino-5-bromophenyl)but-3-enyl]carbamate
CID 170491530

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-amino-5-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-amino-5-bromophenyl)prop-2-enamide (CID 129410638) is (E)-3-(2-amino-5-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-amino-5-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-amino-5-bromophenyl)prop-2-enamide is NC(=O)/C=C/c1cc(Br)ccc1N.
What is the InChIKey of (E)-3-(2-amino-5-bromophenyl)prop-2-enamide?
The InChIKey is RCGMWTQHFPMPJA-DAFODLJHSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,11H2,(H2,12,13)/b4-1+.
What are the key properties of (E)-3-(2-amino-5-bromophenyl)prop-2-enamide?
(E)-3-(2-amino-5-bromophenyl)prop-2-enamide has a molecular weight of 241.09 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-amino-5-bromophenyl)prop-2-enamide is sourced from PubChem (CID 129410638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).