1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea

C24H21N3O4 — CID 46384390

IUPAC1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc32)cc1
InChIInChI=1S/C24H21N3O4/c1-15-2-4-17(5-3-15)23(28)27-11-10-16-6-7-18(12-20(16)27)25-24(29)26-19-8-9-21-22(13-19)31-14-30-21/h2-9,12-13H,10-11,14H2,1H3,(H2,25,26,29)
InChIKeyCEBFZOCBWNMXND-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.57
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea

1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 46384390) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
PubChem CID46384390
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc32)cc1
InChIInChI=1S/C24H21N3O4/c1-15-2-4-17(5-3-15)23(28)27-11-10-16-6-7-18(12-20(16)27)25-24(29)26-19-8-9-21-22(13-19)31-14-30-21/h2-9,12-13H,10-11,14H2,1H3,(H2,25,26,29)
InChIKeyCEBFZOCBWNMXND-UHFFFAOYSA-N
XLogP4.57
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384350
1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384382
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
ethyl (3S)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]carbamoylamino]-3-phenylpropanoate
CID 92882087
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
CID 7517340
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376109

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (CID 46384390) is 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc32)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is CEBFZOCBWNMXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-15-2-4-17(5-3-15)23(28)27-11-10-16-6-7-18(12-20(16)27)25-24(29)26-19-8-9-21-22(13-19)31-14-30-21/h2-9,12-13H,10-11,14H2,1H3,(H2,25,26,29).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 415.45 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 46384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).