1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea

C22H17F2N3O — CID 46381077

IUPAC1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-5-1-14(2-6-17)13-25-22(28)26-19-8-3-15(4-9-19)21-12-16-11-18(24)7-10-20(16)27-21/h1-12,27H,13H2,(H2,25,26,28)
InChIKeyRDRMCEYGZYNUQW-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.43
Rot. Bonds4

About 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea

1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 46381077) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID46381077
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C22H17F2N3O/c23-17-5-1-14(2-6-17)13-25-22(28)26-19-8-3-15(4-9-19)21-12-16-11-18(24)7-10-20(16)27-21/h1-12,27H,13H2,(H2,25,26,28)
InChIKeyRDRMCEYGZYNUQW-UHFFFAOYSA-N
XLogP5.43
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381066
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
CID 46334526
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
4-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzenesulfonamide
CID 46331701
2-[2-(4-fluorophenyl)-1H-indol-5-yl]ethanol
CID 175148463
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea (CID 46381077) is 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is RDRMCEYGZYNUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-17-5-1-14(2-6-17)13-25-22(28)26-19-8-3-15(4-9-19)21-12-16-11-18(24)7-10-20(16)27-21/h1-12,27H,13H2,(H2,25,26,28).
What are the key properties of 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea?
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 377.39 g/mol, XLogP of 5.43, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 46381077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).