(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone

C15H10BrClN2O — CID 103475637

IUPAC(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESNc1cc(C(=O)c2c[nH]c3c(Cl)cccc23)ccc1Br
InChIInChI=1S/C15H10BrClN2O/c16-11-5-4-8(6-13(11)18)15(20)10-7-19-14-9(10)2-1-3-12(14)17/h1-7,19H,18H2
InChIKeyDDVASASPBYIELN-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.40
Rot. Bonds2

About (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone

(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone (PubChem CID 103475637) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
PubChem CID103475637
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESNc1cc(C(=O)c2c[nH]c3c(Cl)cccc23)ccc1Br
InChIInChI=1S/C15H10BrClN2O/c16-11-5-4-8(6-13(11)18)15(20)10-7-19-14-9(10)2-1-3-12(14)17/h1-7,19H,18H2
InChIKeyDDVASASPBYIELN-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103474352
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875
3-bromo-7-chloro-1H-indole
CID 2763282
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone (CID 103475637) is (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone is Nc1cc(C(=O)c2c[nH]c3c(Cl)cccc23)ccc1Br.
What is the InChIKey of (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The InChIKey is DDVASASPBYIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-11-5-4-8(6-13(11)18)15(20)10-7-19-14-9(10)2-1-3-12(14)17/h1-7,19H,18H2.
What are the key properties of (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone?
(3-amino-4-bromophenyl)-(7-chloro-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 (3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103475637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).