N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide

C15H13N3O5 — CID 165345947

IUPACN-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide
SMILESCC(=O)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O5/c1-11(19)16(14-7-2-3-8-15(14)18(22)23)10-12-5-4-6-13(9-12)17(20)21/h2-9H,10H2,1H3
InChIKeyIUXQDTAJTCMZET-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.06
Rot. Bonds5

About N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide

N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide (PubChem CID 165345947) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide
PubChem CID165345947
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide
SMILESCC(=O)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O5/c1-11(19)16(14-7-2-3-8-15(14)18(22)23)10-12-5-4-6-13(9-12)17(20)21/h2-9H,10H2,1H3
InChIKeyIUXQDTAJTCMZET-UHFFFAOYSA-N
XLogP3.06
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
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

3-[(2-ethyl-N-(3-nitrobenzoyl)anilino)methyl]benzoic acid
CID 84558839
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-2-nitroaniline
CID 133385896
S-[(3-nitrophenyl)methyl] ethanethioate
CID 58531936
2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol
CID 23180222
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-benzyl-3-nitro-N-pyridin-2-ylbenzamide
CID 799327
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-nitrobenzoic acid;(3-nitrophenyl)methylcarbamic acid
CID 175812990

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide?
The IUPAC name of N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide (CID 165345947) is N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide?
The canonical SMILES for N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide is CC(=O)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide?
The InChIKey is IUXQDTAJTCMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-11(19)16(14-7-2-3-8-15(14)18(22)23)10-12-5-4-6-13(9-12)17(20)21/h2-9H,10H2,1H3.
What are the key properties of N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide?
N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide has a molecular weight of 315.29 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-N-[(3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 165345947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).