(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone

C16H13ClN2O — CID 82787189

IUPAC(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(N)c(Cl)c3)c[nH]c2c1
InChIInChI=1S/C16H13ClN2O/c1-9-2-4-11-12(8-19-15(11)6-9)16(20)10-3-5-14(18)13(17)7-10/h2-8,19H,18H2,1H3
InChIKeyFTVBGCJTCQCLCA-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.94
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone

(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone (PubChem CID 82787189) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
PubChem CID82787189
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(N)c(Cl)c3)c[nH]c2c1
InChIInChI=1S/C16H13ClN2O/c1-9-2-4-11-12(8-19-15(11)6-9)16(20)10-3-5-14(18)13(17)7-10/h2-8,19H,18H2,1H3
InChIKeyFTVBGCJTCQCLCA-UHFFFAOYSA-N
XLogP3.94
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.94
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

(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
(4-amino-3-chlorophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547144
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(3-chloro-4-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 82875840
(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone (CID 82787189) is (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(N)c(Cl)c3)c[nH]c2c1.
What is the InChIKey of (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone?
The InChIKey is FTVBGCJTCQCLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-9-2-4-11-12(8-19-15(11)6-9)16(20)10-3-5-14(18)13(17)7-10/h2-8,19H,18H2,1H3.
What are the key properties of (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone?
(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone has a molecular weight of 284.75 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 82787189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).