(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

C19H25F3N2O3 — CID 135337674

IUPAC(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OCC2CCC(F)(F)C2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C19H25F3N2O3/c1-26-16-8-17(27-11-12-4-5-19(21,22)9-12)14(20)7-13(16)10-24-18(25)15-3-2-6-23-15/h7-8,12,15,23H,2-6,9-11H2,1H3,(H,24,25)/t12?,15-/m0/s1
InChIKeySFBLACOYHCIAOO-CVRLYYSRSA-N
MW386.41 g/mol
LogP3.02
Rot. Bonds7

About (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 135337674) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID135337674
Molecular FormulaC19H25F3N2O3
Molecular Weight386.41 g/mol
Exact Mass386.18
IUPAC Name(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OCC2CCC(F)(F)C2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C19H25F3N2O3/c1-26-16-8-17(27-11-12-4-5-19(21,22)9-12)14(20)7-13(16)10-24-18(25)15-3-2-6-23-15/h7-8,12,15,23H,2-6,9-11H2,1H3,(H,24,25)/t12?,15-/m0/s1
InChIKeySFBLACOYHCIAOO-CVRLYYSRSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[[5-fluoro-2-methoxy-4-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 135337681
N-[[5-fluoro-2-methoxy-4-(4,4,4-trifluorobutoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 153319822
(2S)-N-[[5-fluoro-4-[(2-fluoro-4-pyridinyl)methoxy]-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 135337877
N-[[5-fluoro-2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 153319809
(2S)-N-[[6-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 126721444
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
(2S)-N-[[6-[(4,4-difluorocyclohexyl)amino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721781
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
(2S)-N-[[6-[[(1R)-3,3-difluorocyclopentyl]methoxy]-5-fluoro-2-methoxy-3-pyridinyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 126721865
(2S)-N-[[6-[(4,4-difluorocyclohexyl)-methylamino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (CID 135337674) is (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is COc1cc(OCC2CCC(F)(F)C2)c(F)cc1CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SFBLACOYHCIAOO-CVRLYYSRSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-26-16-8-17(27-11-12-4-5-19(21,22)9-12)14(20)7-13(16)10-24-18(25)15-3-2-6-23-15/h7-8,12,15,23H,2-6,9-11H2,1H3,(H,24,25)/t12?,15-/m0/s1.
What are the key properties of (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-[(3,3-difluorocyclopentyl)methoxy]-5-fluoro-2-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135337674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).