1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

C24H29FN4O2 — CID 86875671

IUPAC1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c[nH]c2c1
InChIInChI=1S/C24H29FN4O2/c1-17-2-7-21-19(15-27-22(21)14-17)8-9-26-24(30)28-16-23(29-10-12-31-13-11-29)18-3-5-20(25)6-4-18/h2-7,14-15,23,27H,8-13,16H2,1H3,(H2,26,28,30)
InChIKeyYDAKZFHVPAXNQD-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.53
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86875671) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86875671
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c[nH]c2c1
InChIInChI=1S/C24H29FN4O2/c1-17-2-7-21-19(15-27-22(21)14-17)8-9-26-24(30)28-16-23(29-10-12-31-13-11-29)18-3-5-20(25)6-4-18/h2-7,14-15,23,27H,8-13,16H2,1H3,(H2,26,28,30)
InChIKeyYDAKZFHVPAXNQD-UHFFFAOYSA-N
XLogP3.53
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111973612
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110997385
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-methyl-1H-indole-2-carboxamide
CID 55559687
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111312753
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111312752
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (CID 86875671) is 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is Cc1ccc2c(CCNC(=O)NCC(c3ccc(F)cc3)N3CCOCC3)c[nH]c2c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is YDAKZFHVPAXNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-17-2-7-21-19(15-27-22(21)14-17)8-9-26-24(30)28-16-23(29-10-12-31-13-11-29)18-3-5-20(25)6-4-18/h2-7,14-15,23,27H,8-13,16H2,1H3,(H2,26,28,30).
What are the key properties of 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 424.52 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86875671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).