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

C25H25N3O2 — CID 53043814

IUPAC1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1C
InChIInChI=1S/C25H25N3O2/c1-17-8-11-22(14-18(17)2)27-25(30)26-16-19-9-10-20-12-13-28(23(20)15-19)24(29)21-6-4-3-5-7-21/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30)
InChIKeySUPHXBIILLXVQP-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.83
Rot. Bonds4

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

1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 53043814) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
PubChem CID53043814
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1C
InChIInChI=1S/C25H25N3O2/c1-17-8-11-22(14-18(17)2)27-25(30)26-16-19-9-10-20-12-13-28(23(20)15-19)24(29)21-6-4-3-5-7-21/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30)
InChIKeySUPHXBIILLXVQP-UHFFFAOYSA-N
XLogP4.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(4-ethoxyphenyl)urea
CID 53099512
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-[(4-fluorophenyl)methyl]urea
CID 30372619
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
1-(3,4-dimethylphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384350
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
CID 53099481
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea (CID 53043814) is 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1C.
What is the InChIKey of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is SUPHXBIILLXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-8-11-22(14-18(17)2)27-25(30)26-16-19-9-10-20-12-13-28(23(20)15-19)24(29)21-6-4-3-5-7-21/h3-11,14-15H,12-13,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea?
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 399.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 53043814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).