[3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone

C28H19ClN2O2 — CID 146681658

IUPAC[3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
SMILESNC1=C(C(=O)c2c[nH]c3ccccc23)C(c2cccc(Cl)c2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C28H19ClN2O2/c29-18-8-5-7-17(14-18)24-25-19-9-2-1-6-16(19)12-13-23(25)33-28(30)26(24)27(32)21-15-31-22-11-4-3-10-20(21)22/h1-15,24,31H,30H2
InChIKeyNFLQYGBRQHRHGQ-UHFFFAOYSA-N
MW450.93 g/mol
LogP6.55
Rot. Bonds3

About [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone

[3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 146681658) has the molecular formula C28H19ClN2O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
PubChem CID146681658
Molecular FormulaC28H19ClN2O2
Molecular Weight450.93 g/mol
Exact Mass450.11
IUPAC Name[3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone
SMILESNC1=C(C(=O)c2c[nH]c3ccccc23)C(c2cccc(Cl)c2)c2c(ccc3ccccc23)O1
InChIInChI=1S/C28H19ClN2O2/c29-18-8-5-7-17(14-18)24-25-19-9-2-1-6-16(19)12-13-23(25)33-28(30)26(24)27(32)21-15-31-22-11-4-3-10-20(21)22/h1-15,24,31H,30H2
InChIKeyNFLQYGBRQHRHGQ-UHFFFAOYSA-N
XLogP6.55
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone with MolForge

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Related Compounds

Jwh 081
CID 10547208
(7-methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
CID 45271217
(7-Methoxynaphthalen-1-yl)(1-propyl-1H-indol-3-yl)methanone
CID 45271218
(4-Methoxynaphthalen-1-yl)-(1-propylindol-3-yl)methanone
CID 10831231
Methanone, (4-ethoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 45267043
(4-ethoxynaphthalen-1-yl)(1-propyl-1H-indol-3-yl)methanone
CID 45270408
Benzamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-
CID 71449489
2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone
CID 266625
(4-Methoxy-naphthalen-1-yl)-[1-(1-methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-methanone
CID 11690129
(E)-3-(1H-indol-5-yl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 53318175
(2E)-2-(1H-indol-5-ylmethylidene)-7-methoxy-3,4-dihydronaphthalen-1-one
CID 134156474
(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715488

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone (CID 146681658) is [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone is NC1=C(C(=O)c2c[nH]c3ccccc23)C(c2cccc(Cl)c2)c2c(ccc3ccccc23)O1.
What is the InChIKey of [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is NFLQYGBRQHRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2O2/c29-18-8-5-7-17(14-18)24-25-19-9-2-1-6-16(19)12-13-23(25)33-28(30)26(24)27(32)21-15-31-22-11-4-3-10-20(21)22/h1-15,24,31H,30H2.
What are the key properties of [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone?
[3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 450.93 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(3-chlorophenyl)-1H-benzo[f]chromen-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 146681658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).