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

C23H20FN3O — CID 46381042

IUPAC1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1
InChIInChI=1S/C23H20FN3O/c1-14-9-15(2)11-20(10-14)26-23(28)25-19-6-3-16(4-7-19)22-13-17-12-18(24)5-8-21(17)27-22/h3-13,27H,1-2H3,(H2,25,26,28)
InChIKeyPGRPAWZMLIGWQL-UHFFFAOYSA-N
MW373.43 g/mol
LogP6.23
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea (PubChem CID 46381042) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
PubChem CID46381042
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1
InChIInChI=1S/C23H20FN3O/c1-14-9-15(2)11-20(10-14)26-23(28)25-19-6-3-16(4-7-19)22-13-17-12-18(24)5-8-21(17)27-22/h3-13,27H,1-2H3,(H2,25,26,28)
InChIKeyPGRPAWZMLIGWQL-UHFFFAOYSA-N
XLogP6.23
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 46381077
1-cyclopentyl-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381066
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
2-fluoro-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334527
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
CID 46334526
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea (CID 46381042) is 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea is Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
The InChIKey is PGRPAWZMLIGWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-14-9-15(2)11-20(10-14)26-23(28)25-19-6-3-16(4-7-19)22-13-17-12-18(24)5-8-21(17)27-22/h3-13,27H,1-2H3,(H2,25,26,28).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea?
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea has a molecular weight of 373.43 g/mol, XLogP of 6.23, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46381042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).