N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C19H20ClFN2O2 — CID 41416275

IUPACN-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C19H20ClFN2O2/c1-25-15-5-2-4-13(10-15)18-6-3-9-23(18)12-19(24)22-17-11-14(20)7-8-16(17)21/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyCOMCFGREGQVWDR-SFHVURJKSA-N
MW362.83 g/mol
LogP4.26
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 41416275) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID41416275
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C19H20ClFN2O2/c1-25-15-5-2-4-13(10-15)18-6-3-9-23(18)12-19(24)22-17-11-14(20)7-8-16(17)21/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyCOMCFGREGQVWDR-SFHVURJKSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570447

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 41416275) is N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is COMCFGREGQVWDR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-25-15-5-2-4-13(10-15)18-6-3-9-23(18)12-19(24)22-17-11-14(20)7-8-16(17)21/h2,4-5,7-8,10-11,18H,3,6,9,12H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 362.83 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 41416275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).