2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide

C14H13BrN2O3 — CID 112547104

IUPAC2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CBr)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C14H13BrN2O3/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18)
InChIKeySWDMSPAONCASBP-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.54
Rot. Bonds5

About 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide

2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 112547104) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID112547104
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CBr)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C14H13BrN2O3/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18)
InChIKeySWDMSPAONCASBP-UHFFFAOYSA-N
XLogP2.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 100698722
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26551359
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide (CID 112547104) is 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide is O=C(CBr)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SWDMSPAONCASBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide?
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 337.17 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 112547104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).