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

C25H25N3O2 — CID 46384350

IUPAC1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc32)cc1
InChIInChI=1S/C25H25N3O2/c1-16-4-7-20(8-5-16)24(29)28-13-12-19-9-11-22(15-23(19)28)27-25(30)26-21-10-6-17(2)18(3)14-21/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27,30)
InChIKeyYFGVTNSKWAOGGI-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.46
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (PubChem CID 46384350) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
PubChem CID46384350
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
SMILESCc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc32)cc1
InChIInChI=1S/C25H25N3O2/c1-16-4-7-20(8-5-16)24(29)28-13-12-19-9-11-22(15-23(19)28)27-25(30)26-21-10-6-17(2)18(3)14-21/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27,30)
InChIKeyYFGVTNSKWAOGGI-UHFFFAOYSA-N
XLogP5.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]-3-(2-methylphenyl)urea
CID 46384359
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384390
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
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
ethyl (3S)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]carbamoylamino]-3-phenylpropanoate
CID 92882087
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(3-methoxypropyl)urea
CID 46384438
(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
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(5-chloro-2,4-dimethoxyphenyl)urea
CID 46384423

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea (CID 46384350) is 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc32)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
The InChIKey is YFGVTNSKWAOGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-4-7-20(8-5-16)24(29)28-13-12-19-9-11-22(15-23(19)28)27-25(30)26-21-10-6-17(2)18(3)14-21/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea?
1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea has a molecular weight of 399.49 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea is sourced from PubChem (CID 46384350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).