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

C23H21N3O — CID 27870739

IUPAC1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1
InChIInChI=1S/C23H21N3O/c27-23(26-18-11-5-2-6-12-18)25-15-20(17-9-3-1-4-10-17)21-16-24-22-14-8-7-13-19(21)22/h1-14,16,20,24H,15H2,(H2,25,26,27)/t20-/m1/s1
InChIKeyXAJROUBTHVWPNX-HXUWFJFHSA-N
MW355.44 g/mol
LogP5.12
Rot. Bonds5

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

1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea (PubChem CID 27870739) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
PubChem CID27870739
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
SMILESO=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1
InChIInChI=1S/C23H21N3O/c27-23(26-18-11-5-2-6-12-18)25-15-20(17-9-3-1-4-10-17)21-16-24-22-14-8-7-13-19(21)22/h1-14,16,20,24H,15H2,(H2,25,26,27)/t20-/m1/s1
InChIKeyXAJROUBTHVWPNX-HXUWFJFHSA-N
XLogP5.12
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methylsulfanylphenyl)urea
CID 92876044
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-(3-bromophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801378
ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
CID 92892858
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
1-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 92892911
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea?
The IUPAC name of 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea (CID 27870739) is 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea.
What is the SMILES notation for 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea?
The canonical SMILES for 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea is O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)Nc1ccccc1.
What is the InChIKey of 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea?
The InChIKey is XAJROUBTHVWPNX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21N3O/c27-23(26-18-11-5-2-6-12-18)25-15-20(17-9-3-1-4-10-17)21-16-24-22-14-8-7-13-19(21)22/h1-14,16,20,24H,15H2,(H2,25,26,27)/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea?
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea has a molecular weight of 355.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea is sourced from PubChem (CID 27870739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).