1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea

C23H20FN3O — CID 92892940

IUPAC1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C23H20FN3O/c24-17-9-6-10-18(13-17)27-23(28)26-14-20(16-7-2-1-3-8-16)21-15-25-22-12-5-4-11-19(21)22/h1-13,15,20,25H,14H2,(H2,26,27,28)/t20-/m1/s1
InChIKeyFOQXLSNXJFMALS-HXUWFJFHSA-N
MW373.43 g/mol
LogP5.26
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea

1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea (PubChem CID 92892940) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
PubChem CID92892940
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C23H20FN3O/c24-17-9-6-10-18(13-17)27-23(28)26-14-20(16-7-2-1-3-8-16)21-15-25-22-12-5-4-11-19(21)22/h1-13,15,20,25H,14H2,(H2,26,27,28)/t20-/m1/s1
InChIKeyFOQXLSNXJFMALS-HXUWFJFHSA-N
XLogP5.26
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methylsulfanylphenyl)urea
CID 92876044
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-(3-bromophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801378
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea (CID 92892940) is 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea is O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea?
The InChIKey is FOQXLSNXJFMALS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-17-9-6-10-18(13-17)27-23(28)26-14-20(16-7-2-1-3-8-16)21-15-25-22-12-5-4-11-19(21)22/h1-13,15,20,25H,14H2,(H2,26,27,28)/t20-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea?
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea has a molecular weight of 373.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea is sourced from PubChem (CID 92892940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).