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

C19H17ClFNO3 — CID 99999809

IUPACN-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESC[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C19H17ClFNO3/c1-19(24,17-9-12-5-2-3-8-16(12)25-17)11-22-18(23)10-13-14(20)6-4-7-15(13)21/h2-9,24H,10-11H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyYMEFMQLARHMWPP-LJQANCHMSA-N
MW361.80 g/mol
LogP3.79
Rot. Bonds5

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

N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 99999809) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID99999809
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC NameN-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESC[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C19H17ClFNO3/c1-19(24,17-9-12-5-2-3-8-16(12)25-17)11-22-18(23)10-13-14(20)6-4-7-15(13)21/h2-9,24H,10-11H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyYMEFMQLARHMWPP-LJQANCHMSA-N
XLogP3.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 9366156
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937
2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 26012483
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 99999809) is N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide is C[C@@](O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is YMEFMQLARHMWPP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c1-19(24,17-9-12-5-2-3-8-16(12)25-17)11-22-18(23)10-13-14(20)6-4-7-15(13)21/h2-9,24H,10-11H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 361.80 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 99999809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).