(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone

C15H10Cl2N2O — CID 103475626

IUPAC(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H10Cl2N2O/c16-8-4-5-13(18)10(6-8)15(20)11-7-19-14-9(11)2-1-3-12(14)17/h1-7,19H,18H2
InChIKeyXTKZFUFHKLYURO-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.29
Rot. Bonds2

About (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone

(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone (PubChem CID 103475626) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
PubChem CID103475626
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
SMILESNc1ccc(Cl)cc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C15H10Cl2N2O/c16-8-4-5-13(18)10(6-8)15(20)11-7-19-14-9(11)2-1-3-12(14)17/h1-7,19H,18H2
InChIKeyXTKZFUFHKLYURO-UHFFFAOYSA-N
XLogP4.29
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.29
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-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
(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-methoxyphenyl)methanone
CID 103474392
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107987127
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone (CID 103475626) is (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone is Nc1ccc(Cl)cc1C(=O)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
The InChIKey is XTKZFUFHKLYURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-8-4-5-13(18)10(6-8)15(20)11-7-19-14-9(11)2-1-3-12(14)17/h1-7,19H,18H2.
What are the key properties of (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone?
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone has a molecular weight of 305.16 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone is sourced from PubChem (CID 103475626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).