2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide

C16H12F3N3O5 — CID 7973810

IUPAC2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12F3N3O5/c17-11-6-5-9(7-12(11)22(25)26)21-14(23)8-20-15(24)10-3-1-2-4-13(10)27-16(18)19/h1-7,16H,8H2,(H,20,24)(H,21,23)
InChIKeySJQRWCVVHUSJMH-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.70
Rot. Bonds7

About 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide

2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide (PubChem CID 7973810) has the molecular formula C16H12F3N3O5 and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
PubChem CID7973810
Molecular FormulaC16H12F3N3O5
Molecular Weight383.28 g/mol
Exact Mass383.07
IUPAC Name2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12F3N3O5/c17-11-6-5-9(7-12(11)22(25)26)21-14(23)8-20-15(24)10-3-1-2-4-13(10)27-16(18)19/h1-7,16H,8H2,(H,20,24)(H,21,23)
InChIKeySJQRWCVVHUSJMH-UHFFFAOYSA-N
XLogP2.70
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.70
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'}

Analyze 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820
2-ethoxy-N-[4-(4-fluoro-3-nitroanilino)-4-oxobutyl]benzamide
CID 9077017
2-(difluoromethoxy)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)anilino]ethyl]benzamide
CID 112768741
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3377488
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939
N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24635076
2-(difluoromethoxy)-N-[2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 9146093
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
2-O-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505500
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide (CID 7973810) is 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1OC(F)F)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
The InChIKey is SJQRWCVVHUSJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O5/c17-11-6-5-9(7-12(11)22(25)26)21-14(23)8-20-15(24)10-3-1-2-4-13(10)27-16(18)19/h1-7,16H,8H2,(H,20,24)(H,21,23).
What are the key properties of 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide has a molecular weight of 383.28 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7973810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).