1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea

C21H26FN3O2 — CID 52502638

IUPAC1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
SMILESC[C@@H]1CN(Cc2cccc(CNC(=O)NCc3ccccc3F)c2)CCO1
InChIInChI=1S/C21H26FN3O2/c1-16-14-25(9-10-27-16)15-18-6-4-5-17(11-18)12-23-21(26)24-13-19-7-2-3-8-20(19)22/h2-8,11,16H,9-10,12-15H2,1H3,(H2,23,24,26)/t16-/m1/s1
InChIKeyQPCRMPRLRWPAKK-MRXNPFEDSA-N
MW371.46 g/mol
LogP3.05
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea

1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea (PubChem CID 52502638) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
PubChem CID52502638
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
SMILESC[C@@H]1CN(Cc2cccc(CNC(=O)NCc3ccccc3F)c2)CCO1
InChIInChI=1S/C21H26FN3O2/c1-16-14-25(9-10-27-16)15-18-6-4-5-17(11-18)12-23-21(26)24-13-19-7-2-3-8-20(19)22/h2-8,11,16H,9-10,12-15H2,1H3,(H2,23,24,26)/t16-/m1/s1
InChIKeyQPCRMPRLRWPAKK-MRXNPFEDSA-N
XLogP3.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
N-[(2-fluorophenyl)methyl]-4-[(2-methylmorpholin-4-yl)methyl]benzamide
CID 47027052
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
1-[2-(ethoxymethyl)phenyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea
CID 47749300
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 47900135
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
CID 47900404
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
(E)-3-(3-fluorophenyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]prop-2-enamide
CID 47900188
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 52509866
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea (CID 52502638) is 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea is C[C@@H]1CN(Cc2cccc(CNC(=O)NCc3ccccc3F)c2)CCO1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea?
The InChIKey is QPCRMPRLRWPAKK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16-14-25(9-10-27-16)15-18-6-4-5-17(11-18)12-23-21(26)24-13-19-7-2-3-8-20(19)22/h2-8,11,16H,9-10,12-15H2,1H3,(H2,23,24,26)/t16-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea?
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea has a molecular weight of 371.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea is sourced from PubChem (CID 52502638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).