1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea

C24H26FN3O2 — CID 71453334

IUPAC1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C24H26FN3O2/c1-30-16-20-4-2-3-5-23(20)27-24(29)26-22-10-11-28(15-22)14-17-6-7-19-13-21(25)9-8-18(19)12-17/h2-9,12-13,22H,10-11,14-16H2,1H3,(H2,26,27,29)/t22-/m1/s1
InChIKeyMQNDNJDYZVJFQY-JOCHJYFZSA-N
MW407.49 g/mol
LogP4.52
Rot. Bonds6

About 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea

1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea (PubChem CID 71453334) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea
PubChem CID71453334
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C24H26FN3O2/c1-30-16-20-4-2-3-5-23(20)27-24(29)26-22-10-11-28(15-22)14-17-6-7-19-13-21(25)9-8-18(19)12-17/h2-9,12-13,22H,10-11,14-16H2,1H3,(H2,26,27,29)/t22-/m1/s1
InChIKeyMQNDNJDYZVJFQY-JOCHJYFZSA-N
XLogP4.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea?
The IUPAC name of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea (CID 71453334) is 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea is COCc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea?
The InChIKey is MQNDNJDYZVJFQY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-30-16-20-4-2-3-5-23(20)27-24(29)26-22-10-11-28(15-22)14-17-6-7-19-13-21(25)9-8-18(19)12-17/h2-9,12-13,22H,10-11,14-16H2,1H3,(H2,26,27,29)/t22-/m1/s1.
What are the key properties of 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea?
1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea has a molecular weight of 407.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-3-[2-(methoxymethyl)phenyl]urea is sourced from PubChem (CID 71453334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).