N'-(3-bromophenyl)-N-prop-2-enyloxamide

C11H11BrN2O2 — CID 2244417

IUPACN'-(3-bromophenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16)
InChIKeyXGVCLRUKGCPCSK-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.69
Rot. Bonds3

About N'-(3-bromophenyl)-N-prop-2-enyloxamide

N'-(3-bromophenyl)-N-prop-2-enyloxamide (PubChem CID 2244417) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-prop-2-enyloxamide
PubChem CID2244417
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC NameN'-(3-bromophenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H11BrN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16)
InChIKeyXGVCLRUKGCPCSK-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4'-Bromoacetanilide
CID 7683
2-Aminoacetanilide
CID 208384
N-(3-Bromophenyl)acetamide
CID 12123
N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
3'-Bromopropionanilide
CID 806279
2'-Bromoacetanilide
CID 136416
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
Nbd-557
CID 5279270
N-{2-[(3-bromophenyl)-phenylamino]ethyl}acetamide
CID 24750191
2-amino-N-(4-bromophenyl)acetamide
CID 871334
Bromamid
CID 68839
Acetamide, 2-anilino-N,N-dimethyl-
CID 203398

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(3-bromophenyl)-N-prop-2-enyloxamide (CID 2244417) is N'-(3-bromophenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-prop-2-enyloxamide?
The InChIKey is XGVCLRUKGCPCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16).
What are the key properties of N'-(3-bromophenyl)-N-prop-2-enyloxamide?
N'-(3-bromophenyl)-N-prop-2-enyloxamide has a molecular weight of 283.12 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 2244417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).