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

C24H22ClN3O2 — CID 95081780

IUPAC1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
SMILESC[C@@H]1Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C24H22ClN3O2/c1-16-13-19-8-7-17(15-26-24(30)27-21-11-9-20(25)10-12-21)14-22(19)28(16)23(29)18-5-3-2-4-6-18/h2-12,14,16H,13,15H2,1H3,(H2,26,27,30)/t16-/m1/s1
InChIKeySWLDKMUWUWETJH-MRXNPFEDSA-N
MW419.91 g/mol
LogP5.25
Rot. Bonds4

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

1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea (PubChem CID 95081780) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
PubChem CID95081780
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea
SMILESC[C@@H]1Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1
InChIInChI=1S/C24H22ClN3O2/c1-16-13-19-8-7-17(15-26-24(30)27-21-11-9-20(25)10-12-21)14-22(19)28(16)23(29)18-5-3-2-4-6-18/h2-12,14,16H,13,15H2,1H3,(H2,26,27,30)/t16-/m1/s1
InChIKeySWLDKMUWUWETJH-MRXNPFEDSA-N
XLogP5.25
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 ≤ 55.25
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-chlorophenyl)urea
CID 53099560
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methylphenyl)urea
CID 53099574
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(4-methoxyphenyl)urea
CID 53099578
1-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-3-(3,5-dimethylphenyl)urea
CID 53099569
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-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-(2-methylphenyl)urea
CID 95081804
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 95081862
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-chlorobenzamide
CID 95081549
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

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea (CID 95081780) is 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea is C[C@@H]1Cc2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea?
The InChIKey is SWLDKMUWUWETJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-13-19-8-7-17(15-26-24(30)27-21-11-9-20(25)10-12-21)14-22(19)28(16)23(29)18-5-3-2-4-6-18/h2-12,14,16H,13,15H2,1H3,(H2,26,27,30)/t16-/m1/s1.
What are the key properties of 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea?
1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea has a molecular weight of 419.91 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 95081780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).