1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide

C24H19BrN4O4 — CID 123131717

IUPAC1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19BrN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/m0/s1
InChIKeyZOKVATBQTCBQNA-NRFANRHFSA-N
MW507.34 g/mol
LogP4.16
Rot. Bonds6

About 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 123131717) has the molecular formula C24H19BrN4O4 and a molecular weight of 507.34 g/mol. Its IUPAC name is 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID123131717
Molecular FormulaC24H19BrN4O4
Molecular Weight507.34 g/mol
Exact Mass506.06
IUPAC Name1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H19BrN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/m0/s1
InChIKeyZOKVATBQTCBQNA-NRFANRHFSA-N
XLogP4.16
TPSA123.32 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.34
LogP ≤ 54.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
3-bromo-N-[(1S)-2-[4-(hydroxycarbamoyl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 171346842
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
(2S)-4-[(4-bromobenzoyl)hydrazinylidene]-2-(1H-indol-3-yl)-4-phenylbutanoic acid
CID 129441168
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
(NZ)-N-[1-(4-bromophenyl)-2,2-bis(1H-indol-3-yl)ethylidene]hydroxylamine
CID 85469647
4-bromo-N-[1H-indol-3-yl(phenyl)methyl]-N-phenylbenzamide
CID 71399214
4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]benzamide
CID 155569054
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 123131717) is 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is ZOKVATBQTCBQNA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19BrN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/m0/s1.
What are the key properties of 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 507.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-2-(4-bromoanilino)-1-(1H-indol-3-yl)-2-oxoethyl]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 123131717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).