N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide

C24H19FN2O3 — CID 160852320

IUPACN-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(CCC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H19FN2O3/c25-18-10-11-19(26)20(14-18)27-24(29)16-8-5-15(6-9-16)7-12-21(28)23-13-17-3-1-2-4-22(17)30-23/h1-6,8-11,13-14H,7,12,26H2,(H,27,29)
InChIKeySJKNNLGRYMAOKL-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.22
Rot. Bonds6

About N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide

N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide (PubChem CID 160852320) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide
PubChem CID160852320
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC NameN-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(CCC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C24H19FN2O3/c25-18-10-11-19(26)20(14-18)27-24(29)16-8-5-15(6-9-16)7-12-21(28)23-13-17-3-1-2-4-22(17)30-23/h1-6,8-11,13-14H,7,12,26H2,(H,27,29)
InChIKeySJKNNLGRYMAOKL-UHFFFAOYSA-N
XLogP5.22
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 161179981
N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]naphthalene-1-carboxamide
CID 71478084
N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 160785018
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
CID 71476314
N-(2-cyano-4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 79953678
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
CID 105132388
1-(1-benzofuran-2-yl)-3-(furan-2-yl)propan-1-one
CID 105131499
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
N-[1-(1-benzofuran-2-yl)ethylideneamino]-4-fluorobenzamide
CID 3509518
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide (CID 160852320) is N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide is Nc1ccc(F)cc1NC(=O)c1ccc(CCC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide?
The InChIKey is SJKNNLGRYMAOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c25-18-10-11-19(26)20(14-18)27-24(29)16-8-5-15(6-9-16)7-12-21(28)23-13-17-3-1-2-4-22(17)30-23/h1-6,8-11,13-14H,7,12,26H2,(H,27,29).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide?
N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide has a molecular weight of 402.43 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 160852320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).