N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide

C22H16F2N2O2 — CID 68978674

IUPACN-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)C=Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C22H16F2N2O2/c23-17-10-11-18(24)16(13-17)9-12-21(27)14-5-7-15(8-6-14)22(28)26-20-4-2-1-3-19(20)25/h1-13H,25H2,(H,26,28)
InChIKeyDZFKRAZXHWJSCZ-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.70
Rot. Bonds5

About N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide

N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide (PubChem CID 68978674) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide
PubChem CID68978674
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(=O)C=Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C22H16F2N2O2/c23-17-10-11-18(24)16(13-17)9-12-21(27)14-5-7-15(8-6-14)22(28)26-20-4-2-1-3-19(20)25/h1-13H,25H2,(H,26,28)
InChIKeyDZFKRAZXHWJSCZ-UHFFFAOYSA-N
XLogP4.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]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

N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
CID 141088053
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
3-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75890602
N-(2,5-difluorophenyl)-4-phenylbenzamide
CID 7958887
3-amino-4-fluoro-N-(2-hydroxyphenyl)benzamide
CID 110488257
N-(2-aminophenyl)-4-methylbenzamide;(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788196
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide (CID 68978674) is N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C(=O)C=Cc2cc(F)ccc2F)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide?
The InChIKey is DZFKRAZXHWJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-17-10-11-18(24)16(13-17)9-12-21(27)14-5-7-15(8-6-14)22(28)26-20-4-2-1-3-19(20)25/h1-13H,25H2,(H,26,28).
What are the key properties of N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide?
N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide has a molecular weight of 378.38 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-(2,5-difluorophenyl)prop-2-enoyl]benzamide is sourced from PubChem (CID 68978674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).