N-(3-azidopropyl)-2-chlorobenzamide

C10H11ClN4O — CID 61343976

IUPACN-(3-azidopropyl)-2-chlorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O/c11-9-5-2-1-4-8(9)10(16)13-6-3-7-14-15-12/h1-2,4-5H,3,6-7H2,(H,13,16)
InChIKeyQQRZNZAKWCXJHB-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.77
Rot. Bonds5

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

N-(3-azidopropyl)-2-chlorobenzamide (PubChem CID 61343976) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-chlorobenzamide
PubChem CID61343976
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC NameN-(3-azidopropyl)-2-chlorobenzamide
SMILES[N-]=[N+]=NCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClN4O/c11-9-5-2-1-4-8(9)10(16)13-6-3-7-14-15-12/h1-2,4-5H,3,6-7H2,(H,13,16)
InChIKeyQQRZNZAKWCXJHB-UHFFFAOYSA-N
XLogP2.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.77
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)-2,6-dichlorobenzamide
CID 61343646
N-(3-azidopropyl)-2-chloro-4-methylbenzamide
CID 106863546
N-(3-azidopropyl)-4-bromo-2-chlorobenzamide
CID 61344725
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
4-[(2-chlorobenzoyl)amino]butanoate
CID 7024884
2-(2-aminoethoxy)-N-(3-azidopropyl)benzamide
CID 175505955
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-(4-azidobutyl)-4-chloro-2,5-difluorobenzamide
CID 106386799
N-(4-azidobutyl)-2-bromo-3-fluorobenzamide
CID 106386317
2-chloro-N-undecylbenzamide
CID 3373978
N-(3-azidopropyl)-1H-pyrrole-2-carboxamide
CID 61344374
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-chlorobenzamide?
The IUPAC name of N-(3-azidopropyl)-2-chlorobenzamide (CID 61343976) is N-(3-azidopropyl)-2-chlorobenzamide.
What is the SMILES notation for N-(3-azidopropyl)-2-chlorobenzamide?
The canonical SMILES for N-(3-azidopropyl)-2-chlorobenzamide is [N-]=[N+]=NCCCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-(3-azidopropyl)-2-chlorobenzamide?
The InChIKey is QQRZNZAKWCXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-9-5-2-1-4-8(9)10(16)13-6-3-7-14-15-12/h1-2,4-5H,3,6-7H2,(H,13,16).
What are the key properties of N-(3-azidopropyl)-2-chlorobenzamide?
N-(3-azidopropyl)-2-chlorobenzamide has a molecular weight of 238.68 g/mol, XLogP of 2.77, 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-chlorobenzamide is sourced from PubChem (CID 61343976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).