N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide

C18H15F2NO2 — CID 39976580

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
SMILESC[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2NO2/c1-11(17-10-12-5-3-4-6-16(12)23-17)21(2)18(22)13-7-8-14(19)15(20)9-13/h3-11H,1-2H3/t11-/m0/s1
InChIKeyYKXZCDZECLPCQH-NSHDSACASA-N
MW315.32 g/mol
LogP4.54
Rot. Bonds3

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 39976580) has the molecular formula C18H15F2NO2 and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
PubChem CID39976580
Molecular FormulaC18H15F2NO2
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
SMILESC[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2NO2/c1-11(17-10-12-5-3-4-6-16(12)23-17)21(2)18(22)13-7-8-14(19)15(20)9-13/h3-11H,1-2H3/t11-/m0/s1
InChIKeyYKXZCDZECLPCQH-NSHDSACASA-N
XLogP4.54
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 46550910
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934942
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934936
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide (CID 39976580) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide is C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is YKXZCDZECLPCQH-NSHDSACASA-N. The full InChI is InChI=1S/C18H15F2NO2/c1-11(17-10-12-5-3-4-6-16(12)23-17)21(2)18(22)13-7-8-14(19)15(20)9-13/h3-11H,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 315.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 39976580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).