N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide

C19H16ClFN2O3 — CID 164625320

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide
SMILESCC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(N)=O
InChIInChI=1S/C19H16ClFN2O3/c1-19(2,18(22)25)23-17(24)14-9-13(21)7-11-8-15(26-16(11)14)10-3-5-12(20)6-4-10/h3-9H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyBFTVGTBSHFPIGP-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.89
Rot. Bonds4

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide (PubChem CID 164625320) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide
PubChem CID164625320
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide
SMILESCC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(N)=O
InChIInChI=1S/C19H16ClFN2O3/c1-19(2,18(22)25)23-17(24)14-9-13(21)7-11-8-15(26-16(11)14)10-3-5-12(20)6-4-10/h3-9H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyBFTVGTBSHFPIGP-UHFFFAOYSA-N
XLogP3.89
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide (CID 164625320) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide is CC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide?
The InChIKey is BFTVGTBSHFPIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-19(2,18(22)25)23-17(24)14-9-13(21)7-11-8-15(26-16(11)14)10-3-5-12(20)6-4-10/h3-9H,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(4-chlorophenyl)-5-fluoro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 164625320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).