N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide

C22H20FN3O2 — CID 142489322

IUPACN-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H20FN3O2/c23-17-9-12-20(19(24)14-17)26-22(28)16-7-10-18(11-8-16)25-21(27)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13,24H2,(H,25,27)(H,26,28)
InChIKeyJMDOELFZICYMDR-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.23
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide

N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide (PubChem CID 142489322) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide
PubChem CID142489322
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C22H20FN3O2/c23-17-9-12-20(19(24)14-17)26-22(28)16-7-10-18(11-8-16)25-21(27)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13,24H2,(H,25,27)(H,26,28)
InChIKeyJMDOELFZICYMDR-UHFFFAOYSA-N
XLogP4.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide (CID 142489322) is N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide is Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide?
The InChIKey is JMDOELFZICYMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-17-9-12-20(19(24)14-17)26-22(28)16-7-10-18(11-8-16)25-21(27)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13,24H2,(H,25,27)(H,26,28).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide?
N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide has a molecular weight of 377.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 142489322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).