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

C25H25N3O2 — CID 53099574

IUPAC1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1
InChIInChI=1S/C25H25N3O2/c1-17-8-12-22(13-9-17)27-25(30)26-16-19-10-11-21-14-18(2)28(23(21)15-19)24(29)20-6-4-3-5-7-20/h3-13,15,18H,14,16H2,1-2H3,(H2,26,27,30)
InChIKeyNDNRLBJQLVMJER-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.91
Rot. Bonds4

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

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 53099574) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID53099574
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1
InChIInChI=1S/C25H25N3O2/c1-17-8-12-22(13-9-17)27-25(30)26-16-19-10-11-21-14-18(2)28(23(21)15-19)24(29)20-6-4-3-5-7-20/h3-13,15,18H,14,16H2,1-2H3,(H2,26,27,30)
InChIKeyNDNRLBJQLVMJER-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
CID 53099569
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
CID 95081780
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(3-fluoro-4-methylphenyl)urea
CID 95081855
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3-chlorophenyl)urea
CID 53099560
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methylphenyl)urea
CID 95081804
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-methylurea
CID 53099625
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(2-ethylphenyl)urea
CID 53099590
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 95081862
1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea
CID 95081769
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-phenylacetamide
CID 95081623
ethyl 2-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methylcarbamoylamino]propanoate
CID 53099629

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea (CID 53099574) is 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1.
What is the InChIKey of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is NDNRLBJQLVMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-8-12-22(13-9-17)27-25(30)26-16-19-10-11-21-14-18(2)28(23(21)15-19)24(29)20-6-4-3-5-7-20/h3-13,15,18H,14,16H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea?
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 399.49 g/mol, XLogP of 4.91, 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-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 53099574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).