N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide

C19H17F2NO3 — CID 32592662

IUPACN-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccccc2OC(F)F)oc2ccccc12
InChIInChI=1S/C19H17F2NO3/c1-11-13-7-3-5-9-15(13)24-17(11)18(23)22-12(2)14-8-4-6-10-16(14)25-19(20)21/h3-10,12,19H,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyWOKMTPXKCCHVQR-GFCCVEGCSA-N
MW345.34 g/mol
LogP4.83
Rot. Bonds5

About N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 32592662) has the molecular formula C19H17F2NO3 and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID32592662
Molecular FormulaC19H17F2NO3
Molecular Weight345.34 g/mol
Exact Mass345.12
IUPAC NameN-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](C)c2ccccc2OC(F)F)oc2ccccc12
InChIInChI=1S/C19H17F2NO3/c1-11-13-7-3-5-9-15(13)24-17(11)18(23)22-12(2)14-8-4-6-10-16(14)25-19(20)21/h3-10,12,19H,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyWOKMTPXKCCHVQR-GFCCVEGCSA-N
XLogP4.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 42953720
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51247168
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417462
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464743
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 166155571

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 32592662) is N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H](C)c2ccccc2OC(F)F)oc2ccccc12.
What is the InChIKey of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WOKMTPXKCCHVQR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-11-13-7-3-5-9-15(13)24-17(11)18(23)22-12(2)14-8-4-6-10-16(14)25-19(20)21/h3-10,12,19H,1-2H3,(H,22,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 345.34 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 32592662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).