1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea

C22H15Cl2F2N3O2 — CID 10226585

IUPAC1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea
SMILESCOc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H15Cl2F2N3O2/c1-31-21-3-2-11(18-6-12-4-16(25)17(26)10-19(12)28-18)5-20(21)29-22(30)27-15-8-13(23)7-14(24)9-15/h2-10,28H,1H3,(H2,27,29,30)
InChIKeyQGTKVBAXJSOQEO-UHFFFAOYSA-N
MW462.28 g/mol
LogP7.07
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea

1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea (PubChem CID 10226585) has the molecular formula C22H15Cl2F2N3O2 and a molecular weight of 462.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea
PubChem CID10226585
Molecular FormulaC22H15Cl2F2N3O2
Molecular Weight462.28 g/mol
Exact Mass461.05
IUPAC Name1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea
SMILESCOc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H15Cl2F2N3O2/c1-31-21-3-2-11(18-6-12-4-16(25)17(26)10-19(12)28-18)5-20(21)29-22(30)27-15-8-13(23)7-14(24)9-15/h2-10,28H,1H3,(H2,27,29,30)
InChIKeyQGTKVBAXJSOQEO-UHFFFAOYSA-N
XLogP7.07
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.28
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea
CID 10164344
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
5-(5,6-difluoro-1H-indol-2-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]aniline;hydrochloride
CID 10297914
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
1-(5-chloro-2-methoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 50753216
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea (CID 10226585) is 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea is COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea?
The InChIKey is QGTKVBAXJSOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F2N3O2/c1-31-21-3-2-11(18-6-12-4-16(25)17(26)10-19(12)28-18)5-20(21)29-22(30)27-15-8-13(23)7-14(24)9-15/h2-10,28H,1H3,(H2,27,29,30).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea?
1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea has a molecular weight of 462.28 g/mol, XLogP of 7.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea is sourced from PubChem (CID 10226585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).