N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide

C19H16F3NO4 — CID 49089493

IUPACN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(O)c3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C19H16F3NO4/c1-11-2-7-16-13(8-11)9-17(26-16)18(25)23-10-15(24)12-3-5-14(6-4-12)27-19(20,21)22/h2-9,15,24H,10H2,1H3,(H,23,25)
InChIKeyBPZDRSJFJBSKFK-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.10
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 49089493) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID49089493
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(O)c3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C19H16F3NO4/c1-11-2-7-16-13(8-11)9-17(26-16)18(25)23-10-15(24)12-3-5-14(6-4-12)27-19(20,21)22/h2-9,15,24H,10H2,1H3,(H,23,25)
InChIKeyBPZDRSJFJBSKFK-UHFFFAOYSA-N
XLogP4.10
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111425569
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
5-bromo-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 110279904
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47086910
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111477459

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide (CID 49089493) is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCC(O)c3ccc(OC(F)(F)F)cc3)cc2c1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BPZDRSJFJBSKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-11-2-7-16-13(8-11)9-17(26-16)18(25)23-10-15(24)12-3-5-14(6-4-12)27-19(20,21)22/h2-9,15,24H,10H2,1H3,(H,23,25).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 49089493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).