1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea

C24H22ClN3O4 — CID 46384423

IUPAC1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1Cl
InChIInChI=1S/C24H22ClN3O4/c1-31-21-14-22(32-2)19(13-18(21)25)27-24(30)26-17-9-8-15-10-11-28(20(15)12-17)23(29)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H2,26,27,30)
InChIKeyAGPMHKRWULTDAP-UHFFFAOYSA-N
MW451.91 g/mol
LogP5.20
Rot. Bonds5

About 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea

1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea (PubChem CID 46384423) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
PubChem CID46384423
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1Cl
InChIInChI=1S/C24H22ClN3O4/c1-31-21-14-22(32-2)19(13-18(21)25)27-24(30)26-17-9-8-15-10-11-28(20(15)12-17)23(29)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H2,26,27,30)
InChIKeyAGPMHKRWULTDAP-UHFFFAOYSA-N
XLogP5.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.91
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea with MolForge

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Related Compounds

1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
CID 46384443
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
CID 46384438
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea (CID 46384423) is 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea is COc1cc(OC)c(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1Cl.
What is the InChIKey of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
The InChIKey is AGPMHKRWULTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-31-21-14-22(32-2)19(13-18(21)25)27-24(30)26-17-9-8-15-10-11-28(20(15)12-17)23(29)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea?
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea has a molecular weight of 451.91 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 46384423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).