N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide

C23H18F3N3O3 — CID 141267227

IUPACN-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)17-11-9-15(10-12-17)21(31)28-13-20(30)14-5-7-16(8-6-14)22(32)29-19-4-2-1-3-18(19)27/h1-12H,13,27H2,(H,28,31)(H,29,32)
InChIKeyJVJOIXAOMYGAKD-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.15
Rot. Bonds6

About N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide

N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide (PubChem CID 141267227) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
PubChem CID141267227
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC NameN-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)17-11-9-15(10-12-17)21(31)28-13-20(30)14-5-7-16(8-6-14)22(32)29-19-4-2-1-3-18(19)27/h1-12H,13,27H2,(H,28,31)(H,29,32)
InChIKeyJVJOIXAOMYGAKD-UHFFFAOYSA-N
XLogP4.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide (CID 141267227) is N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide?
The InChIKey is JVJOIXAOMYGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c24-23(25,26)17-11-9-15(10-12-17)21(31)28-13-20(30)14-5-7-16(8-6-14)22(32)29-19-4-2-1-3-18(19)27/h1-12H,13,27H2,(H,28,31)(H,29,32).
What are the key properties of N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide?
N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide has a molecular weight of 441.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide is sourced from PubChem (CID 141267227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).