N-(2-bromoethyl)-2-formylbenzamide

C10H10BrNO2 — CID 18508334

IUPACN-(2-bromoethyl)-2-formylbenzamide
SMILESO=Cc1ccccc1C(=O)NCCBr
InChIInChI=1S/C10H10BrNO2/c11-5-6-12-10(14)9-4-2-1-3-8(9)7-13/h1-4,7H,5-6H2,(H,12,14)
InChIKeyXYALTXSVWBGEBF-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.62
Rot. Bonds4

About N-(2-bromoethyl)-2-formylbenzamide

N-(2-bromoethyl)-2-formylbenzamide (PubChem CID 18508334) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-formylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-formylbenzamide
PubChem CID18508334
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC NameN-(2-bromoethyl)-2-formylbenzamide
SMILESO=Cc1ccccc1C(=O)NCCBr
InChIInChI=1S/C10H10BrNO2/c11-5-6-12-10(14)9-4-2-1-3-8(9)7-13/h1-4,7H,5-6H2,(H,12,14)
InChIKeyXYALTXSVWBGEBF-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-formylbenzoyl)amino]ethanesulfonic acid
CID 173328045
N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
CID 160631823
2-[2-[2-[2-[(2-formylbenzoyl)amino]ethoxy]ethoxy]ethylamino]acetic acid
CID 59649148
2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
CID 142265185
2-[7-(2-formylphenyl)-4,7-dioxoheptanoyl]benzaldehyde
CID 166643291
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
2-[2-[(2-formylbenzoyl)amino]ethyl]-3-hydroxy-5-[4-(4-hydroxyphenyl)phenyl]pentanoic acid
CID 88961361
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide
CID 88968385
2-formylbenzoyl iodide
CID 88830490
3-aminopropyl-[3-[3-[6-[3-[(2-formylbenzoyl)amino]propyl-dimethylazaniumyl]hexanoylamino]propyl-dimethylazaniumyl]propyl]-dimethylazanium
CID 89104422

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-formylbenzamide?
The IUPAC name of N-(2-bromoethyl)-2-formylbenzamide (CID 18508334) is N-(2-bromoethyl)-2-formylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-2-formylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-2-formylbenzamide is O=Cc1ccccc1C(=O)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-2-formylbenzamide?
The InChIKey is XYALTXSVWBGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-5-6-12-10(14)9-4-2-1-3-8(9)7-13/h1-4,7H,5-6H2,(H,12,14).
What are the key properties of N-(2-bromoethyl)-2-formylbenzamide?
N-(2-bromoethyl)-2-formylbenzamide has a molecular weight of 256.10 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-formylbenzamide is sourced from PubChem (CID 18508334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).