[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone

C29H20Cl2N2O2 — CID 70695085

IUPAC[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C29H20Cl2N2O2/c1-15-24(20-8-4-5-9-22(20)33-15)28(34)27-26(19-12-11-17(30)14-21(19)31)25-18-7-3-2-6-16(18)10-13-23(25)35-29(27)32/h2-14,26,33H,32H2,1H3
InChIKeyFYFWNCDDVZJFMD-UHFFFAOYSA-N
MW499.40 g/mol
LogP7.51
Rot. Bonds3

About [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone

[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 70695085) has the molecular formula C29H20Cl2N2O2 and a molecular weight of 499.40 g/mol. Its IUPAC name is [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone
PubChem CID70695085
Molecular FormulaC29H20Cl2N2O2
Molecular Weight499.40 g/mol
Exact Mass498.09
IUPAC Name[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1[nH]c2ccccc2c1C(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C29H20Cl2N2O2/c1-15-24(20-8-4-5-9-22(20)33-15)28(34)27-26(19-12-11-17(30)14-21(19)31)25-18-7-3-2-6-16(18)10-13-23(25)35-29(27)32/h2-14,26,33H,32H2,1H3
InChIKeyFYFWNCDDVZJFMD-UHFFFAOYSA-N
XLogP7.51
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.40
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromene-2-carbonyl]oxyethyl-trimethylazanium
CID 52937297
ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
methyl 2-amino-4-(2,4-dichlorophenyl)-4H-benzo[h]chromene-3-carboxylate
CID 3725314
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 917052
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 62505096
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
anthracen-1-yl-(2-methyl-1H-indol-3-yl)methanone
CID 10065533
(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
CID 1286820

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone (CID 70695085) is [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone is Cc1[nH]c2ccccc2c1C(=O)C1=C(N)Oc2ccc3ccccc3c2C1c1ccc(Cl)cc1Cl.
What is the InChIKey of [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is FYFWNCDDVZJFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N2O2/c1-15-24(20-8-4-5-9-22(20)33-15)28(34)27-26(19-12-11-17(30)14-21(19)31)25-18-7-3-2-6-16(18)10-13-23(25)35-29(27)32/h2-14,26,33H,32H2,1H3.
What are the key properties of [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone?
[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 499.40 g/mol, XLogP of 7.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromen-2-yl]-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 70695085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).