N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide

C16H15N3O4 — CID 18144354

IUPACN-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4/c1-17-16(21)12-6-4-7-13(9-12)18-15(20)10-11-5-2-3-8-14(11)19(22)23/h2-9H,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyDBDQKTIXCMOFFJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.14
Rot. Bonds5

About N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide

N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide (PubChem CID 18144354) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
PubChem CID18144354
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4/c1-17-16(21)12-6-4-7-13(9-12)18-15(20)10-11-5-2-3-8-14(11)19(22)23/h2-9H,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyDBDQKTIXCMOFFJ-UHFFFAOYSA-N
XLogP2.14
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.14
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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Related Compounds

N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
2-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzoic acid
CID 56763571
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide (CID 18144354) is N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide?
The InChIKey is DBDQKTIXCMOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-17-16(21)12-6-4-7-13(9-12)18-15(20)10-11-5-2-3-8-14(11)19(22)23/h2-9H,10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide?
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide is sourced from PubChem (CID 18144354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).