N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C18H15ClFNO2 — CID 9366156

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C18H15ClFNO2/c1-11(17-9-12-5-2-3-8-16(12)23-17)21-18(22)10-13-14(19)6-4-7-15(13)20/h2-9,11H,10H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyJZRKAQADGWGUMP-LLVKDONJSA-N
MW331.77 g/mol
LogP4.65
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 9366156) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID9366156
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESC[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C18H15ClFNO2/c1-11(17-9-12-5-2-3-8-16(12)23-17)21-18(22)10-13-14(19)6-4-7-15(13)20/h2-9,11H,10H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyJZRKAQADGWGUMP-LLVKDONJSA-N
XLogP4.65
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 46588092
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664503

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 9366156) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is JZRKAQADGWGUMP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c1-11(17-9-12-5-2-3-8-16(12)23-17)21-18(22)10-13-14(19)6-4-7-15(13)20/h2-9,11H,10H2,1H3,(H,21,22)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 331.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 9366156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).