[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea

C19H20BrN3O2 — CID 31819470

IUPAC[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O2/c1-12-10-14-4-2-3-5-17(14)23(12)18(24)11-16(22-19(21)25)13-6-8-15(20)9-7-13/h2-9,12,16H,10-11H2,1H3,(H3,21,22,25)/t12-,16+/m1/s1
InChIKeyAILSDFPZUSVYHZ-WBMJQRKESA-N
MW402.29 g/mol
LogP3.53
Rot. Bonds4

About [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea

[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea (PubChem CID 31819470) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea
PubChem CID31819470
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrN3O2/c1-12-10-14-4-2-3-5-17(14)23(12)18(24)11-16(22-19(21)25)13-6-8-15(20)9-7-13/h2-9,12,16H,10-11H2,1H3,(H3,21,22,25)/t12-,16+/m1/s1
InChIKeyAILSDFPZUSVYHZ-WBMJQRKESA-N
XLogP3.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea with MolForge

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Related Compounds

[(1R)-1-(4-bromophenyl)-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea
CID 31819468
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8609203
N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 112765903
4-bromo-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 42905957
4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 103154159
[(1S)-1-(4-bromophenyl)-3-oxo-3-[(4R)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propyl]urea
CID 37095776
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
N-[(1R)-3-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]methanesulfonamide
CID 100782674
N-[(1S)-3-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]methanesulfonamide
CID 100782678
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2-(3-bromophenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113098893
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42123563

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea?
The IUPAC name of [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea (CID 31819470) is [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea is C[C@@H]1Cc2ccccc2N1C(=O)C[C@H](NC(N)=O)c1ccc(Br)cc1.
What is the InChIKey of [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea?
The InChIKey is AILSDFPZUSVYHZ-WBMJQRKESA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-12-10-14-4-2-3-5-17(14)23(12)18(24)11-16(22-19(21)25)13-6-8-15(20)9-7-13/h2-9,12,16H,10-11H2,1H3,(H3,21,22,25)/t12-,16+/m1/s1.
What are the key properties of [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea?
[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea has a molecular weight of 402.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 31819470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).