N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide

C19H16N4O6 — CID 55366968

IUPACN-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H16N4O6/c24-17(21-14-4-2-1-3-13(14)18(25)20-11-5-6-11)10-22-15-8-7-12(23(27)28)9-16(15)29-19(22)26/h1-4,7-9,11H,5-6,10H2,(H,20,25)(H,21,24)
InChIKeyLUOOFRXQYVRBAE-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.03
Rot. Bonds6

About N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide

N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide (PubChem CID 55366968) has the molecular formula C19H16N4O6 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
PubChem CID55366968
Molecular FormulaC19H16N4O6
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H16N4O6/c24-17(21-14-4-2-1-3-13(14)18(25)20-11-5-6-11)10-22-15-8-7-12(23(27)28)9-16(15)29-19(22)26/h1-4,7-9,11H,5-6,10H2,(H,20,25)(H,21,24)
InChIKeyLUOOFRXQYVRBAE-UHFFFAOYSA-N
XLogP2.03
TPSA136.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 134044678
2-methyl-N-[1-[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]benzamide
CID 55688847
N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 16610937
N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 32892171
2-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55415549
N-(2-chloro-4-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886699
N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 17411352
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977
N-(4-aminocyclohexyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide;hydrochloride
CID 119475770
N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363066
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764460
N-[(1S,2R)-2-methylcyclohexyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9427764

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide (CID 55366968) is N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide is O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
The InChIKey is LUOOFRXQYVRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O6/c24-17(21-14-4-2-1-3-13(14)18(25)20-11-5-6-11)10-22-15-8-7-12(23(27)28)9-16(15)29-19(22)26/h1-4,7-9,11H,5-6,10H2,(H,20,25)(H,21,24).
What are the key properties of N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide has a molecular weight of 396.36 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).