(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone

C15H10BrClN2O — CID 115549855

IUPAC(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H10BrClN2O/c16-10-4-2-6-12-13(10)9(7-19-12)15(20)8-3-1-5-11(17)14(8)18/h1-7,19H,18H2
InChIKeyJZZOPLGQQRHRPU-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.40
Rot. Bonds2

About (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone

(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone (PubChem CID 115549855) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
PubChem CID115549855
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H10BrClN2O/c16-10-4-2-6-12-13(10)9(7-19-12)15(20)8-3-1-5-11(17)14(8)18/h1-7,19H,18H2
InChIKeyJZZOPLGQQRHRPU-UHFFFAOYSA-N
XLogP4.40
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428602
2-(4-bromo-1H-indole-3-carbonyl)benzoic acid
CID 115351658
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
(4-bromo-1H-indol-3-yl)-(2-bromo-5-methylphenyl)methanone
CID 115351639
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884994
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone (CID 115549855) is (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone is Nc1c(Cl)cccc1C(=O)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
The InChIKey is JZZOPLGQQRHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-10-4-2-6-12-13(10)9(7-19-12)15(20)8-3-1-5-11(17)14(8)18/h1-7,19H,18H2.
What are the key properties of (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone?
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone has a molecular weight of 349.62 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone is sourced from PubChem (CID 115549855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).