1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea

C22H18FN3O — CID 46384330

IUPAC1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc1F
InChIInChI=1S/C22H18FN3O/c1-14-10-11-16(13-18(14)23)24-22(27)26-20-9-5-3-7-17(20)21-12-15-6-2-4-8-19(15)25-21/h2-13,25H,1H3,(H2,24,26,27)
InChIKeyWWNVGTSHFMHMJM-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.93
Rot. Bonds3

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

1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea (PubChem CID 46384330) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
PubChem CID46384330
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc1F
InChIInChI=1S/C22H18FN3O/c1-14-10-11-16(13-18(14)23)24-22(27)26-20-9-5-3-7-17(20)21-12-15-6-2-4-8-19(15)25-21/h2-13,25H,1H3,(H2,24,26,27)
InChIKeyWWNVGTSHFMHMJM-UHFFFAOYSA-N
XLogP5.93
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-4-methylphenyl)-3-[2-(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-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384315
methyl 3-[[2-(1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46384340
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
CID 70903237
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 50797469
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380985
1-(2,5-difluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380900
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
N-[2-(5-methyl-1H-indol-2-yl)phenyl]acetamide
CID 134835281
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea (CID 46384330) is 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2ccccc2-c2cc3ccccc3[nH]2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
The InChIKey is WWNVGTSHFMHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-14-10-11-16(13-18(14)23)24-22(27)26-20-9-5-3-7-17(20)21-12-15-6-2-4-8-19(15)25-21/h2-13,25H,1H3,(H2,24,26,27).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea has a molecular weight of 359.40 g/mol, XLogP of 5.93, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46384330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).