3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide

C20H14FN3O4 — CID 1300799

IUPAC3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1
InChIInChI=1S/C20H14FN3O4/c21-17-10-9-16(24(27)28)12-18(17)23-20(26)14-7-4-8-15(11-14)22-19(25)13-5-2-1-3-6-13/h1-12H,(H,22,25)(H,23,26)
InChIKeyKEBNZVFEUFKTNB-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.24
Rot. Bonds5

About 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide

3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide (PubChem CID 1300799) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
PubChem CID1300799
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC Name3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1
InChIInChI=1S/C20H14FN3O4/c21-17-10-9-16(24(27)28)12-18(17)23-20(26)14-7-4-8-15(11-14)22-19(25)13-5-2-1-3-6-13/h1-12H,(H,22,25)(H,23,26)
InChIKeyKEBNZVFEUFKTNB-UHFFFAOYSA-N
XLogP4.24
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.24
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'}

Analyze 3-benzamido-N-(2-fluoro-5-nitrophenyl)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

3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
N-(2-fluoro-5-nitrophenyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60528421
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide?
The IUPAC name of 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide (CID 1300799) is 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide?
The canonical SMILES for 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide is O=C(Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide?
The InChIKey is KEBNZVFEUFKTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c21-17-10-9-16(24(27)28)12-18(17)23-20(26)14-7-4-8-15(11-14)22-19(25)13-5-2-1-3-6-13/h1-12H,(H,22,25)(H,23,26).
What are the key properties of 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide?
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide has a molecular weight of 379.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide is sourced from PubChem (CID 1300799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).