1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

C24H28FN3O2 — CID 86888355

IUPAC1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)NCC3(c4cccc(F)c4)CCOCC3)c12
InChIInChI=1S/C24H28FN3O2/c1-17-4-2-7-21-22(17)18(15-27-21)8-11-26-23(29)28-16-24(9-12-30-13-10-24)19-5-3-6-20(25)14-19/h2-7,14-15,27H,8-13,16H2,1H3,(H2,26,28,29)
InChIKeyMHAUINQPHHXJDA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.21
Rot. Bonds6

About 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86888355) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86888355
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)NCC3(c4cccc(F)c4)CCOCC3)c12
InChIInChI=1S/C24H28FN3O2/c1-17-4-2-7-21-22(17)18(15-27-21)8-11-26-23(29)28-16-24(9-12-30-13-10-24)19-5-3-6-20(25)14-19/h2-7,14-15,27H,8-13,16H2,1H3,(H2,26,28,29)
InChIKeyMHAUINQPHHXJDA-UHFFFAOYSA-N
XLogP4.21
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

4-(aminomethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 120931113
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoylamino]ethyl]acetamide
CID 86874981
2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide
CID 92568271
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (CID 86888355) is 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is Cc1cccc2[nH]cc(CCNC(=O)NCC3(c4cccc(F)c4)CCOCC3)c12.
What is the InChIKey of 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is MHAUINQPHHXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-4-2-7-21-22(17)18(15-27-21)8-11-26-23(29)28-16-24(9-12-30-13-10-24)19-5-3-6-20(25)14-19/h2-7,14-15,27H,8-13,16H2,1H3,(H2,26,28,29).
What are the key properties of 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 409.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86888355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).