N-(3-azidopropyl)-2,6-dichlorobenzamide

C10H10Cl2N4O — CID 61343646

IUPACN-(3-azidopropyl)-2,6-dichlorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N4O/c11-7-3-1-4-8(12)9(7)10(17)14-5-2-6-15-16-13/h1,3-4H,2,5-6H2,(H,14,17)
InChIKeyUOHAKJYEXFEBBE-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.42
Rot. Bonds5

About N-(3-azidopropyl)-2,6-dichlorobenzamide

N-(3-azidopropyl)-2,6-dichlorobenzamide (PubChem CID 61343646) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is N-(3-azidopropyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2,6-dichlorobenzamide
PubChem CID61343646
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC NameN-(3-azidopropyl)-2,6-dichlorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N4O/c11-7-3-1-4-8(12)9(7)10(17)14-5-2-6-15-16-13/h1,3-4H,2,5-6H2,(H,14,17)
InChIKeyUOHAKJYEXFEBBE-UHFFFAOYSA-N
XLogP3.42
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.42
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-chlorobenzamide
CID 61343976
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
N-(3-azidopropyl)-4-bromo-2-chlorobenzamide
CID 61344725
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
CID 62666216
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(3-azidopropyl)-1-benzothiophene-2-carboxamide
CID 61406843
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(3-azidopropyl)-2,6-dichlorobenzamide (CID 61343646) is N-(3-azidopropyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(3-azidopropyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(3-azidopropyl)-2,6-dichlorobenzamide is [N-]=[N+]=NCCCNC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-azidopropyl)-2,6-dichlorobenzamide?
The InChIKey is UOHAKJYEXFEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c11-7-3-1-4-8(12)9(7)10(17)14-5-2-6-15-16-13/h1,3-4H,2,5-6H2,(H,14,17).
What are the key properties of N-(3-azidopropyl)-2,6-dichlorobenzamide?
N-(3-azidopropyl)-2,6-dichlorobenzamide has a molecular weight of 273.12 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 61343646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).