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

C25H24FN3O2 — CID 53099751

IUPAC1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(F)c4)cc32)c1
InChIInChI=1S/C25H24FN3O2/c1-16-4-3-5-20(12-16)24(30)29-11-10-19-8-7-18(13-23(19)29)15-27-25(31)28-21-9-6-17(2)22(26)14-21/h3-9,12-14H,10-11,15H2,1-2H3,(H2,27,28,31)
InChIKeyACBUSLSUIPNHHE-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.97
Rot. Bonds4

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

1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (PubChem CID 53099751) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
PubChem CID53099751
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(F)c4)cc32)c1
InChIInChI=1S/C25H24FN3O2/c1-16-4-3-5-20(12-16)24(30)29-11-10-19-8-7-18(13-23(19)29)15-27-25(31)28-21-9-6-17(2)22(26)14-21/h3-9,12-14H,10-11,15H2,1-2H3,(H2,27,28,31)
InChIKeyACBUSLSUIPNHHE-UHFFFAOYSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 53099544
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
methyl 4-chloro-2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099746
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
CID 53099329

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (CID 53099751) is 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(F)c4)cc32)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The InChIKey is ACBUSLSUIPNHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-16-4-3-5-20(12-16)24(30)29-11-10-19-8-7-18(13-23(19)29)15-27-25(31)28-21-9-6-17(2)22(26)14-21/h3-9,12-14H,10-11,15H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea has a molecular weight of 417.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is sourced from PubChem (CID 53099751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).