5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide

C18H20ClFN2O2S — CID 30897706

IUPAC5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN2Cc2c(F)ccc(OC)c2Cl)s1
InChIInChI=1S/C18H20ClFN2O2S/c1-21-18(23)16-8-7-15(25-16)13-4-3-9-22(13)10-11-12(20)5-6-14(24-2)17(11)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyBZOVSBLGWDMSEY-CYBMUJFWSA-N
MW382.89 g/mol
LogP4.25
Rot. Bonds5

About 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide

5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide (PubChem CID 30897706) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
PubChem CID30897706
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN2Cc2c(F)ccc(OC)c2Cl)s1
InChIInChI=1S/C18H20ClFN2O2S/c1-21-18(23)16-8-7-15(25-16)13-4-3-9-22(13)10-11-12(20)5-6-14(24-2)17(11)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyBZOVSBLGWDMSEY-CYBMUJFWSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97126378
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395
(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 99928674
methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
N-(5-chloro-2-methoxyphenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55827066
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 72939461
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360
5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129006816

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide (CID 30897706) is 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc([C@H]2CCCN2Cc2c(F)ccc(OC)c2Cl)s1.
What is the InChIKey of 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is BZOVSBLGWDMSEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c1-21-18(23)16-8-7-15(25-16)13-4-3-9-22(13)10-11-12(20)5-6-14(24-2)17(11)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide?
5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(2-chloro-6-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 30897706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).