N-(3-bromophenyl)-3-methoxybut-2-enamide

C11H12BrNO2 — CID 54535073

IUPACN-(3-bromophenyl)-3-methoxybut-2-enamide
SMILESCOC(C)=CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO2/c1-8(15-2)6-11(14)13-10-5-3-4-9(12)7-10/h3-7H,1-2H3,(H,13,14)
InChIKeyYZFBUYHNDKHPLQ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.94
Rot. Bonds3

About N-(3-bromophenyl)-3-methoxybut-2-enamide

N-(3-bromophenyl)-3-methoxybut-2-enamide (PubChem CID 54535073) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methoxybut-2-enamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methoxybut-2-enamide
PubChem CID54535073
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC NameN-(3-bromophenyl)-3-methoxybut-2-enamide
SMILESCOC(C)=CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H12BrNO2/c1-8(15-2)6-11(14)13-10-5-3-4-9(12)7-10/h3-7H,1-2H3,(H,13,14)
InChIKeyYZFBUYHNDKHPLQ-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-methoxybut-2-enamide
CID 54455732
(E)-N-(3-butanoylphenyl)-3-methoxybut-2-enamide
CID 21445123
N-(3-butylphenyl)-3-methoxybut-2-enamide
CID 54048877
4-(3-bromoanilino)-4-oxobut-2-enoic acid
CID 708585
(2Z)-N-(3-bromophenyl)-2-hydroxyiminoacetamide
CID 6401110
[3-(3-methoxybut-2-enoylamino)phenyl] pentanoate
CID 54555252
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
N-(3-bromophenyl)-4-chlorobut-2-enamide
CID 123887531
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
(E)-3-(3-bromoanilino)-1-(4-bromophenyl)but-2-en-1-one
CID 39346840
methyl (Z)-3-(3-bromoanilino)-4-oxo-4-(propan-2-ylamino)but-2-enoate
CID 16648140
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methoxybut-2-enamide?
The IUPAC name of N-(3-bromophenyl)-3-methoxybut-2-enamide (CID 54535073) is N-(3-bromophenyl)-3-methoxybut-2-enamide.
What is the SMILES notation for N-(3-bromophenyl)-3-methoxybut-2-enamide?
The canonical SMILES for N-(3-bromophenyl)-3-methoxybut-2-enamide is COC(C)=CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-methoxybut-2-enamide?
The InChIKey is YZFBUYHNDKHPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-8(15-2)6-11(14)13-10-5-3-4-9(12)7-10/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromophenyl)-3-methoxybut-2-enamide?
N-(3-bromophenyl)-3-methoxybut-2-enamide has a molecular weight of 270.13 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methoxybut-2-enamide is sourced from PubChem (CID 54535073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).