N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C25H21F3N2O4 — CID 55803381

IUPACN-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C25H21F3N2O4/c26-25(27,28)18-7-4-9-20(15-18)33-12-11-29-23(31)17-6-3-8-19(13-17)30-24(32)22-14-16-5-1-2-10-21(16)34-22/h1-10,13,15,22H,11-12,14H2,(H,29,31)(H,30,32)
InChIKeyNPDPROUTCSKZPA-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.46
Rot. Bonds7

About N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55803381) has the molecular formula C25H21F3N2O4 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55803381
Molecular FormulaC25H21F3N2O4
Molecular Weight470.45 g/mol
Exact Mass470.15
IUPAC NameN-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCOc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C25H21F3N2O4/c26-25(27,28)18-7-4-9-20(15-18)33-12-11-29-23(31)17-6-3-8-19(13-17)30-24(32)22-14-16-5-1-2-10-21(16)34-22/h1-10,13,15,22H,11-12,14H2,(H,29,31)(H,30,32)
InChIKeyNPDPROUTCSKZPA-UHFFFAOYSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-methoxyphenoxy)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792953
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-(3-cyclohexyloxypropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55821329
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792440
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119556996
N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55868914
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119348107
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
CID 120523389

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55803381) is N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCOc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is NPDPROUTCSKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O4/c26-25(27,28)18-7-4-9-20(15-18)33-12-11-29-23(31)17-6-3-8-19(13-17)30-24(32)22-14-16-5-1-2-10-21(16)34-22/h1-10,13,15,22H,11-12,14H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55803381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).