N-(3-azidopropyl)-2-chloro-4-methylbenzamide

C11H13ClN4O — CID 106863546

IUPACN-(3-azidopropyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCN=[N+]=[N-])c(Cl)c1
InChIInChI=1S/C11H13ClN4O/c1-8-3-4-9(10(12)7-8)11(17)14-5-2-6-15-16-13/h3-4,7H,2,5-6H2,1H3,(H,14,17)
InChIKeyIAPJRBQYESEOLM-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.08
Rot. Bonds5

About N-(3-azidopropyl)-2-chloro-4-methylbenzamide

N-(3-azidopropyl)-2-chloro-4-methylbenzamide (PubChem CID 106863546) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-chloro-4-methylbenzamide
PubChem CID106863546
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC NameN-(3-azidopropyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCN=[N+]=[N-])c(Cl)c1
InChIInChI=1S/C11H13ClN4O/c1-8-3-4-9(10(12)7-8)11(17)14-5-2-6-15-16-13/h3-4,7H,2,5-6H2,1H3,(H,14,17)
InChIKeyIAPJRBQYESEOLM-UHFFFAOYSA-N
XLogP3.08
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.08
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-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(3-azidopropyl)-4-bromo-2-chlorobenzamide
CID 61344725
N-(3-azidopropyl)-2-chlorobenzamide
CID 61343976
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
N-(3-azidopropyl)-2-methoxy-5-methylbenzamide
CID 62503381
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
N-(3-azidopropyl)-2,6-dichlorobenzamide
CID 61343646
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(3-azidopropyl)-2-chloro-4-methylbenzamide (CID 106863546) is N-(3-azidopropyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(3-azidopropyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(3-azidopropyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCCCN=[N+]=[N-])c(Cl)c1.
What is the InChIKey of N-(3-azidopropyl)-2-chloro-4-methylbenzamide?
The InChIKey is IAPJRBQYESEOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-8-3-4-9(10(12)7-8)11(17)14-5-2-6-15-16-13/h3-4,7H,2,5-6H2,1H3,(H,14,17).
What are the key properties of N-(3-azidopropyl)-2-chloro-4-methylbenzamide?
N-(3-azidopropyl)-2-chloro-4-methylbenzamide has a molecular weight of 252.70 g/mol, XLogP of 3.08, 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-chloro-4-methylbenzamide is sourced from PubChem (CID 106863546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).