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

C24H22ClN3O2 — CID 53099712

IUPAC1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc32)c1
InChIInChI=1S/C24H22ClN3O2/c1-16-3-2-4-19(13-16)23(29)28-12-11-18-6-5-17(14-22(18)28)15-26-24(30)27-21-9-7-20(25)8-10-21/h2-10,13-14H,11-12,15H2,1H3,(H2,26,27,30)
InChIKeyHPMKUYZMSODQSY-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.17
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (PubChem CID 53099712) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
PubChem CID53099712
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
SMILESCc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc32)c1
InChIInChI=1S/C24H22ClN3O2/c1-16-3-2-4-19(13-16)23(29)28-12-11-18-6-5-17(14-22(18)28)15-26-24(30)27-21-9-7-20(25)8-10-21/h2-10,13-14H,11-12,15H2,1H3,(H2,26,27,30)
InChIKeyHPMKUYZMSODQSY-UHFFFAOYSA-N
XLogP5.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea with MolForge

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Related Compounds

1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
methyl 4-chloro-2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099746
1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-(3,4-dimethylphenyl)urea
CID 53043814
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
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-(4-ethoxyphenyl)urea
CID 53099512
1-(5-chloro-2-methylphenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099451
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea (CID 53099712) is 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc32)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
The InChIKey is HPMKUYZMSODQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-3-2-4-19(13-16)23(29)28-12-11-18-6-5-17(14-22(18)28)15-26-24(30)27-21-9-7-20(25)8-10-21/h2-10,13-14H,11-12,15H2,1H3,(H2,26,27,30).
What are the key properties of 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea?
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea has a molecular weight of 419.91 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea is sourced from PubChem (CID 53099712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).