[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate

C19H16BrClN2O3 — CID 46459815

IUPAC[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
SMILESCC(OC(=O)c1[nH]c2ccccc2c1Br)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H16BrClN2O3/c1-11(18(24)22-10-12-6-8-13(21)9-7-12)26-19(25)17-16(20)14-4-2-3-5-15(14)23-17/h2-9,11,23H,10H2,1H3,(H,22,24)
InChIKeyCUKHRYMEYVDJJH-UHFFFAOYSA-N
MW435.71 g/mol
LogP4.45
Rot. Bonds5

About [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate

[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate (PubChem CID 46459815) has the molecular formula C19H16BrClN2O3 and a molecular weight of 435.71 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
PubChem CID46459815
Molecular FormulaC19H16BrClN2O3
Molecular Weight435.71 g/mol
Exact Mass434.00
IUPAC Name[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
SMILESCC(OC(=O)c1[nH]c2ccccc2c1Br)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H16BrClN2O3/c1-11(18(24)22-10-12-6-8-13(21)9-7-12)26-19(25)17-16(20)14-4-2-3-5-15(14)23-17/h2-9,11,23H,10H2,1H3,(H,22,24)
InChIKeyCUKHRYMEYVDJJH-UHFFFAOYSA-N
XLogP4.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
CID 55703826
[1-(benzylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 17409936
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504448
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate
CID 24520576
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 18148855
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789505
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
CID 97185800
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7466085
3-[[(4-chlorophenyl)methylamino]methyl]-1H-indole-2-carboxylic acid
CID 53207385
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 46624622
[1-(benzylamino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 42915222
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 41103279

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate?
The IUPAC name of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate (CID 46459815) is [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate.
What is the SMILES notation for [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate?
The canonical SMILES for [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate is CC(OC(=O)c1[nH]c2ccccc2c1Br)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate?
The InChIKey is CUKHRYMEYVDJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O3/c1-11(18(24)22-10-12-6-8-13(21)9-7-12)26-19(25)17-16(20)14-4-2-3-5-15(14)23-17/h2-9,11,23H,10H2,1H3,(H,22,24).
What are the key properties of [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate?
[1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate has a molecular weight of 435.71 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate is sourced from PubChem (CID 46459815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).