1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea

C19H26FN3O2 — CID 124729881

IUPAC1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
SMILESCCC(=O)N1CC[C@H](NC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)C1
InChIInChI=1S/C19H26FN3O2/c1-3-17(24)23-10-9-13(11-23)21-19(25)22-18-12(2)7-8-14-15(18)5-4-6-16(14)20/h4-6,12-13,18H,3,7-11H2,1-2H3,(H2,21,22,25)/t12-,13+,18-/m1/s1
InChIKeyGUKLVDMCCKJIQT-FHSNZYRGSA-N
MW347.43 g/mol
LogP2.76
Rot. Bonds3

About 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea

1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea (PubChem CID 124729881) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
PubChem CID124729881
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
SMILESCCC(=O)N1CC[C@H](NC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)C1
InChIInChI=1S/C19H26FN3O2/c1-3-17(24)23-10-9-13(11-23)21-19(25)22-18-12(2)7-8-14-15(18)5-4-6-16(14)20/h4-6,12-13,18H,3,7-11H2,1-2H3,(H2,21,22,25)/t12-,13+,18-/m1/s1
InChIKeyGUKLVDMCCKJIQT-FHSNZYRGSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea (CID 124729881) is 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea is CCC(=O)N1CC[C@H](NC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)C1.
What is the InChIKey of 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea?
The InChIKey is GUKLVDMCCKJIQT-FHSNZYRGSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-17(24)23-10-9-13(11-23)21-19(25)22-18-12(2)7-8-14-15(18)5-4-6-16(14)20/h4-6,12-13,18H,3,7-11H2,1-2H3,(H2,21,22,25)/t12-,13+,18-/m1/s1.
What are the key properties of 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea?
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea has a molecular weight of 347.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea is sourced from PubChem (CID 124729881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).