N-(4-azidobutyl)-4-nitrobenzamide

C11H13N5O3 — CID 114182192

IUPACN-(4-azidobutyl)-4-nitrobenzamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N5O3/c12-15-14-8-2-1-7-13-11(17)9-3-5-10(6-4-9)16(18)19/h3-6H,1-2,7-8H2,(H,13,17)
InChIKeyLFCHYPASISSGLF-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.42
Rot. Bonds7

About N-(4-azidobutyl)-4-nitrobenzamide

N-(4-azidobutyl)-4-nitrobenzamide (PubChem CID 114182192) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(4-azidobutyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-4-nitrobenzamide
PubChem CID114182192
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-(4-azidobutyl)-4-nitrobenzamide
SMILES[N-]=[N+]=NCCCCNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N5O3/c12-15-14-8-2-1-7-13-11(17)9-3-5-10(6-4-9)16(18)19/h3-6H,1-2,7-8H2,(H,13,17)
InChIKeyLFCHYPASISSGLF-UHFFFAOYSA-N
XLogP2.42
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-azidobutyl)-3-(4-nitrophenyl)urea
CID 106386947
N-(4-azidobutyl)-3-fluoro-5-nitrobenzamide
CID 106386884
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-(3-azidopropyl)-3-methyl-5-nitrobenzamide
CID 113396321
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
CID 23358530
CID 23358530
4-nitro-N-(3-silylpropyl)benzamide
CID 123594916
N-(3-azidopropyl)-4-(hydroxymethyl)-3-nitrobenzamide
CID 163303602
N-(4-azidobutyl)-3,4-dihydroxybenzamide
CID 106386706
N-(4-azidobutyl)-3,4-difluorobenzamide
CID 106386485
4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
CID 2345171

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-4-nitrobenzamide?
The IUPAC name of N-(4-azidobutyl)-4-nitrobenzamide (CID 114182192) is N-(4-azidobutyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-azidobutyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-azidobutyl)-4-nitrobenzamide is [N-]=[N+]=NCCCCNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-azidobutyl)-4-nitrobenzamide?
The InChIKey is LFCHYPASISSGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-15-14-8-2-1-7-13-11(17)9-3-5-10(6-4-9)16(18)19/h3-6H,1-2,7-8H2,(H,13,17).
What are the key properties of N-(4-azidobutyl)-4-nitrobenzamide?
N-(4-azidobutyl)-4-nitrobenzamide has a molecular weight of 263.26 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-4-nitrobenzamide is sourced from PubChem (CID 114182192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).