2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

C15H13N3O5 — CID 717631

IUPAC2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5/c16-15(20)12-3-1-2-4-13(12)17-14(19)9-23-11-7-5-10(6-8-11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19)
InChIKeySARDUNZEHAUSFV-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.71
Rot. Bonds6

About 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (PubChem CID 717631) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
PubChem CID717631
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O5/c16-15(20)12-3-1-2-4-13(12)17-14(19)9-23-11-7-5-10(6-8-11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19)
InChIKeySARDUNZEHAUSFV-UHFFFAOYSA-N
XLogP1.71
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
[2-(2-bromoanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770703
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (CID 717631) is 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The InChIKey is SARDUNZEHAUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c16-15(20)12-3-1-2-4-13(12)17-14(19)9-23-11-7-5-10(6-8-11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19).
What are the key properties of 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide has a molecular weight of 315.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 717631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).