N-(3-azidopropyl)-3-methyl-5-nitrobenzamide

C11H13N5O3 — CID 113396321

IUPACN-(3-azidopropyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(=O)NCCCN=[N+]=[N-])cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O3/c1-8-5-9(7-10(6-8)16(18)19)11(17)13-3-2-4-14-15-12/h5-7H,2-4H2,1H3,(H,13,17)
InChIKeySFMXFKSUCMFCCI-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.33
Rot. Bonds6

About N-(3-azidopropyl)-3-methyl-5-nitrobenzamide

N-(3-azidopropyl)-3-methyl-5-nitrobenzamide (PubChem CID 113396321) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(3-azidopropyl)-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-3-methyl-5-nitrobenzamide
PubChem CID113396321
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC NameN-(3-azidopropyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc(C(=O)NCCCN=[N+]=[N-])cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O3/c1-8-5-9(7-10(6-8)16(18)19)11(17)13-3-2-4-14-15-12/h5-7H,2-4H2,1H3,(H,13,17)
InChIKeySFMXFKSUCMFCCI-UHFFFAOYSA-N
XLogP2.33
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.33
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

N-(4-azidobutyl)-3-fluoro-5-nitrobenzamide
CID 106386884
3-methyl-N-[2-(methylamino)ethyl]-5-nitrobenzamide
CID 112701278
7-[(3-methyl-5-nitrobenzoyl)amino]heptanoic acid
CID 119350687
N-(4-azidobutyl)-4-nitrobenzamide
CID 114182192
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
N-[3-[(3,5-dinitrobenzoyl)amino]propyl]-3,5-dinitrobenzamide
CID 4148153
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200
N-(5-chloro-4-methylpentyl)-3-methyl-5-nitrobenzamide
CID 106156824
N-(3-azidopropyl)-4-(hydroxymethyl)-3-nitrobenzamide
CID 163303602
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
N-(3-azidopropyl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 61344558
N-dodecyl-3,5-dinitrobenzamide
CID 3416063

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(3-azidopropyl)-3-methyl-5-nitrobenzamide (CID 113396321) is N-(3-azidopropyl)-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(3-azidopropyl)-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(3-azidopropyl)-3-methyl-5-nitrobenzamide is Cc1cc(C(=O)NCCCN=[N+]=[N-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-azidopropyl)-3-methyl-5-nitrobenzamide?
The InChIKey is SFMXFKSUCMFCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-8-5-9(7-10(6-8)16(18)19)11(17)13-3-2-4-14-15-12/h5-7H,2-4H2,1H3,(H,13,17).
What are the key properties of N-(3-azidopropyl)-3-methyl-5-nitrobenzamide?
N-(3-azidopropyl)-3-methyl-5-nitrobenzamide has a molecular weight of 263.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 113396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).