2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide

C18H19N3O4 — CID 1247827

IUPAC2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O4/c1-12(2)19-18(23)15-5-3-4-6-16(15)20-17(22)11-13-7-9-14(10-8-13)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVDDQQQJQNOXLRO-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.91
Rot. Bonds6

About 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide

2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 1247827) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID1247827
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O4/c1-12(2)19-18(23)15-5-3-4-6-16(15)20-17(22)11-13-7-9-14(10-8-13)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVDDQQQJQNOXLRO-UHFFFAOYSA-N
XLogP2.91
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide (CID 1247827) is 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is VDDQQQJQNOXLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(2)19-18(23)15-5-3-4-6-16(15)20-17(22)11-13-7-9-14(10-8-13)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 341.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1247827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).