N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide

C19H17ClFNO3 — CID 124892921

IUPACN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCO[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C19H17ClFNO3/c1-24-18(17-9-12-5-2-3-8-16(12)25-17)11-22-19(23)10-13-14(20)6-4-7-15(13)21/h2-9,18H,10-11H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyYUMSZKOIDHPTKZ-SFHVURJKSA-N
MW361.80 g/mol
LogP4.27
Rot. Bonds6

About N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 124892921) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID124892921
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC NameN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCO[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C19H17ClFNO3/c1-24-18(17-9-12-5-2-3-8-16(12)25-17)11-22-19(23)10-13-14(20)6-4-7-15(13)21/h2-9,18H,10-11H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyYUMSZKOIDHPTKZ-SFHVURJKSA-N
XLogP4.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 9366156
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 121021275
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 124892921) is N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide is CO[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is YUMSZKOIDHPTKZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c1-24-18(17-9-12-5-2-3-8-16(12)25-17)11-22-19(23)10-13-14(20)6-4-7-15(13)21/h2-9,18H,10-11H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 361.80 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 124892921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).