N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide

C18H19N3O4 — CID 4264327

IUPACN-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-18(2,3)20-17(23)12-8-4-6-10-14(12)19-16(22)13-9-5-7-11-15(13)21(24)25/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeySIMSEQDGRBOFJV-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.38
Rot. Bonds4

About N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide

N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide (PubChem CID 4264327) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
PubChem CID4264327
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-18(2,3)20-17(23)12-8-4-6-10-14(12)19-16(22)13-9-5-7-11-15(13)21(24)25/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeySIMSEQDGRBOFJV-UHFFFAOYSA-N
XLogP3.38
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.38
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

methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide (CID 4264327) is N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide?
The InChIKey is SIMSEQDGRBOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(2,3)20-17(23)12-8-4-6-10-14(12)19-16(22)13-9-5-7-11-15(13)21(24)25/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide?
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide has a molecular weight of 341.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 4264327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).