N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide

C14H10F3N3O3 — CID 154292912

IUPACN-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC(=O)c1ccccc1
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)9-6-10(18)12(11(7-9)20(22)23)19-13(21)8-4-2-1-3-5-8/h1-7H,18H2,(H,19,21)
InChIKeyKNAFZCRCWDACRG-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.45
Rot. Bonds3

About N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide

N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 154292912) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID154292912
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC NameN-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC(=O)c1ccccc1
InChIInChI=1S/C14H10F3N3O3/c15-14(16,17)9-6-10(18)12(11(7-9)20(22)23)19-13(21)8-4-2-1-3-5-8/h1-7H,18H2,(H,19,21)
InChIKeyKNAFZCRCWDACRG-UHFFFAOYSA-N
XLogP3.45
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 70120337
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
(E)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 6141173
N-(6-amino-5-nitro-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 141373198
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 13020312
4-acetamido-N-[2-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 90064329
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
N-(2-methylphenyl)-4-[2-nitro-4-(trifluoromethyl)anilino]benzamide
CID 143133205

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide (CID 154292912) is N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide is Nc1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KNAFZCRCWDACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c15-14(16,17)9-6-10(18)12(11(7-9)20(22)23)19-13(21)8-4-2-1-3-5-8/h1-7H,18H2,(H,19,21).
What are the key properties of N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide?
N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 154292912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).