N-(3-azidopropyl)-4-bromo-2-fluorobenzamide

C10H10BrFN4O — CID 61344699

IUPACN-(3-azidopropyl)-4-bromo-2-fluorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN4O/c11-7-2-3-8(9(12)6-7)10(17)14-4-1-5-15-16-13/h2-3,6H,1,4-5H2,(H,14,17)
InChIKeyBOBJULFZXUSMPG-UHFFFAOYSA-N
MW301.12 g/mol
LogP3.02
Rot. Bonds5

About N-(3-azidopropyl)-4-bromo-2-fluorobenzamide

N-(3-azidopropyl)-4-bromo-2-fluorobenzamide (PubChem CID 61344699) has the molecular formula C10H10BrFN4O and a molecular weight of 301.12 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-bromo-2-fluorobenzamide
PubChem CID61344699
Molecular FormulaC10H10BrFN4O
Molecular Weight301.12 g/mol
Exact Mass300.00
IUPAC NameN-(3-azidopropyl)-4-bromo-2-fluorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN4O/c11-7-2-3-8(9(12)6-7)10(17)14-4-1-5-15-16-13/h2-3,6H,1,4-5H2,(H,14,17)
InChIKeyBOBJULFZXUSMPG-UHFFFAOYSA-N
XLogP3.02
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-azidopropyl)-4-bromo-2-chlorobenzamide
CID 61344725
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
CID 107677334
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
N-(4-azidobutyl)-2-bromo-3-fluorobenzamide
CID 106386317
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-bromo-2-fluorobenzamide?
The IUPAC name of N-(3-azidopropyl)-4-bromo-2-fluorobenzamide (CID 61344699) is N-(3-azidopropyl)-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(3-azidopropyl)-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-(3-azidopropyl)-4-bromo-2-fluorobenzamide is [N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of N-(3-azidopropyl)-4-bromo-2-fluorobenzamide?
The InChIKey is BOBJULFZXUSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O/c11-7-2-3-8(9(12)6-7)10(17)14-4-1-5-15-16-13/h2-3,6H,1,4-5H2,(H,14,17).
What are the key properties of N-(3-azidopropyl)-4-bromo-2-fluorobenzamide?
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide has a molecular weight of 301.12 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-4-bromo-2-fluorobenzamide is sourced from PubChem (CID 61344699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).