N-[(3R)-3-azidopentanoyl]benzamide

C12H14N4O2 — CID 100945185

IUPACN-[(3R)-3-azidopentanoyl]benzamide
SMILESCC[C@H](CC(=O)NC(=O)c1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C12H14N4O2/c1-2-10(15-16-13)8-11(17)14-12(18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,17,18)/t10-/m1/s1
InChIKeyMBKRKKXTXUWINU-SNVBAGLBSA-N
MW246.27 g/mol
LogP2.42
Rot. Bonds5

About N-[(3R)-3-azidopentanoyl]benzamide

N-[(3R)-3-azidopentanoyl]benzamide (PubChem CID 100945185) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(3R)-3-azidopentanoyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-3-azidopentanoyl]benzamide
PubChem CID100945185
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(3R)-3-azidopentanoyl]benzamide
SMILESCC[C@H](CC(=O)NC(=O)c1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C12H14N4O2/c1-2-10(15-16-13)8-11(17)14-12(18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,17,18)/t10-/m1/s1
InChIKeyMBKRKKXTXUWINU-SNVBAGLBSA-N
XLogP2.42
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-(3,3-diphenylpropanoyl)benzamide
CID 101440172
methyl (3S)-3-azidopentanoate
CID 58903764
methyl 3-benzamido-3-oxopropanoate
CID 11345054
3-(2-benzamido-2-oxoethyl)sulfanylbutanoic acid
CID 66138071
(2-azido-3-hydroxypropyl) benzoate
CID 59511065
N-(ethylcarbamoyl)benzamide
CID 23273840
(5-benzamido-5-oxopentyl)-triphenylphosphanium
CID 19608851
N-methylbenzamide
CID 11954
N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide
CID 134999989
N-(pentan-3-ylideneamino)benzamide
CID 4611553
(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
CID 10262355
benzohydrazide;propane
CID 90709051

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-azidopentanoyl]benzamide?
The IUPAC name of N-[(3R)-3-azidopentanoyl]benzamide (CID 100945185) is N-[(3R)-3-azidopentanoyl]benzamide.
What is the SMILES notation for N-[(3R)-3-azidopentanoyl]benzamide?
The canonical SMILES for N-[(3R)-3-azidopentanoyl]benzamide is CC[C@H](CC(=O)NC(=O)c1ccccc1)N=[N+]=[N-].
What is the InChIKey of N-[(3R)-3-azidopentanoyl]benzamide?
The InChIKey is MBKRKKXTXUWINU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-10(15-16-13)8-11(17)14-12(18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,17,18)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-azidopentanoyl]benzamide?
N-[(3R)-3-azidopentanoyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-azidopentanoyl]benzamide is sourced from PubChem (CID 100945185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).