2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C17H14F3N3O4 — CID 34756914

IUPAC2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H14F3N3O4/c18-17(19,20)10-21-16(25)12-6-2-3-7-13(12)22-15(24)9-11-5-1-4-8-14(11)23(26)27/h1-8H,9-10H2,(H,21,25)(H,22,24)
InChIKeyLQUPGDBFZICMEY-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.07
Rot. Bonds6

About 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 34756914) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID34756914
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H14F3N3O4/c18-17(19,20)10-21-16(25)12-6-2-3-7-13(12)22-15(24)9-11-5-1-4-8-14(11)23(26)27/h1-8H,9-10H2,(H,21,25)(H,22,24)
InChIKeyLQUPGDBFZICMEY-UHFFFAOYSA-N
XLogP3.07
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.07
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 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)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-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569
2-bromo-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113367081
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
2-[3-(2-nitrophenyl)propanoylamino]benzoic acid
CID 141007938
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
2-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849496
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 34756914) is 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LQUPGDBFZICMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c18-17(19,20)10-21-16(25)12-6-2-3-7-13(12)22-15(24)9-11-5-1-4-8-14(11)23(26)27/h1-8H,9-10H2,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 381.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 34756914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).