2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

C32H27FN2O4 — CID 59275153

IUPAC2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N[C@@H](C)c4cccc(OC)c4)c3)cc12
InChIInChI=1S/C32H27FN2O4/c1-19(21-6-5-9-26(17-21)38-3)35-31(36)24-8-4-7-22(16-24)23-12-15-28-27(18-23)29(32(37)34-2)30(39-28)20-10-13-25(33)14-11-20/h4-19H,1-3H3,(H,34,37)(H,35,36)/t19-/m0/s1
InChIKeyJQFVUYHFJOGXSI-IBGZPJMESA-N
MW522.58 g/mol
LogP6.77
Rot. Bonds7

About 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 59275153) has the molecular formula C32H27FN2O4 and a molecular weight of 522.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID59275153
Molecular FormulaC32H27FN2O4
Molecular Weight522.58 g/mol
Exact Mass522.20
IUPAC Name2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N[C@@H](C)c4cccc(OC)c4)c3)cc12
InChIInChI=1S/C32H27FN2O4/c1-19(21-6-5-9-26(17-21)38-3)35-31(36)24-8-4-7-22(16-24)23-12-15-28-27(18-23)29(32(37)34-2)30(39-28)20-10-13-25(33)14-11-20/h4-19H,1-3H3,(H,34,37)(H,35,36)/t19-/m0/s1
InChIKeyJQFVUYHFJOGXSI-IBGZPJMESA-N
XLogP6.77
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide (CID 59275153) is 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N[C@@H](C)c4cccc(OC)c4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is JQFVUYHFJOGXSI-IBGZPJMESA-N. The full InChI is InChI=1S/C32H27FN2O4/c1-19(21-6-5-9-26(17-21)38-3)35-31(36)24-8-4-7-22(16-24)23-12-15-28-27(18-23)29(32(37)34-2)30(39-28)20-10-13-25(33)14-11-20/h4-19H,1-3H3,(H,34,37)(H,35,36)/t19-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).