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

C10H10BrClN4O — CID 61344725

IUPACN-(3-azidopropyl)-4-bromo-2-chlorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClN4O/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)
InChIKeyCQVZSVIWDSSGAQ-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.53
Rot. Bonds5

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

N-(3-azidopropyl)-4-bromo-2-chlorobenzamide (PubChem CID 61344725) has the molecular formula C10H10BrClN4O and a molecular weight of 317.57 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-bromo-2-chlorobenzamide
PubChem CID61344725
Molecular FormulaC10H10BrClN4O
Molecular Weight317.57 g/mol
Exact Mass315.97
IUPAC NameN-(3-azidopropyl)-4-bromo-2-chlorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClN4O/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)
InChIKeyCQVZSVIWDSSGAQ-UHFFFAOYSA-N
XLogP3.53
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.53
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)-2-chloro-4-methylbenzamide
CID 106863546
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
N-(2-azidoethyl)-5-bromo-2-methylbenzamide
CID 65311792
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
N-(3-azidopropyl)-2,6-dichlorobenzamide
CID 61343646
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
N-(3-azidopropyl)-4-fluoro-2-hydroxybenzamide
CID 107016285
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-bromo-2-chlorobenzamide?
The IUPAC name of N-(3-azidopropyl)-4-bromo-2-chlorobenzamide (CID 61344725) is N-(3-azidopropyl)-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(3-azidopropyl)-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-(3-azidopropyl)-4-bromo-2-chlorobenzamide is [N-]=[N+]=NCCCNC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(3-azidopropyl)-4-bromo-2-chlorobenzamide?
The InChIKey is CQVZSVIWDSSGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4O/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-chlorobenzamide?
N-(3-azidopropyl)-4-bromo-2-chlorobenzamide has a molecular weight of 317.57 g/mol, XLogP of 3.53, 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-chlorobenzamide is sourced from PubChem (CID 61344725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).