N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide

C18H13F3N2O3 — CID 123923221

IUPACN-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1ccc(C(NC(=O)c2cc3ccccc3o2)C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)15(10-5-7-11(8-6-10)16(22)24)23-17(25)14-9-12-3-1-2-4-13(12)26-14/h1-9,15H,(H2,22,24)(H,23,25)
InChIKeyQEMDAHFDDBGJQQ-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide

N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide (PubChem CID 123923221) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide
PubChem CID123923221
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC NameN-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1ccc(C(NC(=O)c2cc3ccccc3o2)C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)15(10-5-7-11(8-6-10)16(22)24)23-17(25)14-9-12-3-1-2-4-13(12)26-14/h1-9,15H,(H2,22,24)(H,23,25)
InChIKeyQEMDAHFDDBGJQQ-UHFFFAOYSA-N
XLogP3.57
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide 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-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
4-aminobenzamide;1-benzofuran-2-carboxylic acid
CID 70131943
5-(aminomethyl)-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 86653070
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
CID 76779904
N-[1-(4-carbamoylphenyl)ethyl]-5-chloro-1-benzofuran-2-carboxamide
CID 177139933

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide (CID 123923221) is N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide is NC(=O)c1ccc(C(NC(=O)c2cc3ccccc3o2)C(F)(F)F)cc1.
What is the InChIKey of N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide?
The InChIKey is QEMDAHFDDBGJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)15(10-5-7-11(8-6-10)16(22)24)23-17(25)14-9-12-3-1-2-4-13(12)26-14/h1-9,15H,(H2,22,24)(H,23,25).
What are the key properties of N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide?
N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-carbamoylphenyl)-2,2,2-trifluoroethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 123923221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).