(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone

C17H15ClN2O — CID 82779402

IUPAC(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3ccc(N)c(Cl)c3)c[nH]c12
InChIInChI=1S/C17H15ClN2O/c1-2-10-4-3-5-12-13(9-20-16(10)12)17(21)11-6-7-15(19)14(18)8-11/h3-9,20H,2,19H2,1H3
InChIKeyFCDREXMEMWKNFA-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.20
Rot. Bonds3

About (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone

(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone (PubChem CID 82779402) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
PubChem CID82779402
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3ccc(N)c(Cl)c3)c[nH]c12
InChIInChI=1S/C17H15ClN2O/c1-2-10-4-3-5-12-13(9-20-16(10)12)17(21)11-6-7-15(19)14(18)8-11/h3-9,20H,2,19H2,1H3
InChIKeyFCDREXMEMWKNFA-UHFFFAOYSA-N
XLogP4.20
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.20
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

(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63491466
(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107987127
(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 82787189
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
(4-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884976
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone (CID 82779402) is (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone is CCc1cccc2c(C(=O)c3ccc(N)c(Cl)c3)c[nH]c12.
What is the InChIKey of (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The InChIKey is FCDREXMEMWKNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-10-4-3-5-12-13(9-20-16(10)12)17(21)11-6-7-15(19)14(18)8-11/h3-9,20H,2,19H2,1H3.
What are the key properties of (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone?
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone has a molecular weight of 298.77 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 82779402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).