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

C24H21F2N3O — CID 50801431

IUPAC1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H21F2N3O/c25-18-9-5-16(6-10-18)13-28-24(30)29-14-21(17-7-11-19(26)12-8-17)22-15-27-23-4-2-1-3-20(22)23/h1-12,15,21,27H,13-14H2,(H2,28,29,30)
InChIKeyISSBBYHCLIFJHE-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.08
Rot. Bonds6

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

1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 50801431) has the molecular formula C24H21F2N3O and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID50801431
Molecular FormulaC24H21F2N3O
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H21F2N3O/c25-18-9-5-16(6-10-18)13-28-24(30)29-14-21(17-7-11-19(26)12-8-17)22-15-27-23-4-2-1-3-20(22)23/h1-12,15,21,27H,13-14H2,(H2,28,29,30)
InChIKeyISSBBYHCLIFJHE-UHFFFAOYSA-N
XLogP5.08
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
CID 50801399
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
1-(3,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92892882
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 2118838

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea (CID 50801431) is 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC(c1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is ISSBBYHCLIFJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O/c25-18-9-5-16(6-10-18)13-28-24(30)29-14-21(17-7-11-19(26)12-8-17)22-15-27-23-4-2-1-3-20(22)23/h1-12,15,21,27H,13-14H2,(H2,28,29,30).
What are the key properties of 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea?
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 405.45 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 50801431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).