4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide

C27H24Cl2N2O2 — CID 146500600

IUPAC4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide
SMILESCC(C)n1c(C(=O)N[C@H]2CCOc3ccccc32)cc2c(-c3cccc(Cl)c3Cl)cccc21
InChIInChI=1S/C27H24Cl2N2O2/c1-16(2)31-23-11-6-8-17(18-9-5-10-21(28)26(18)29)20(23)15-24(31)27(32)30-22-13-14-33-25-12-4-3-7-19(22)25/h3-12,15-16,22H,13-14H2,1-2H3,(H,30,32)/t22-/m0/s1
InChIKeyILWPDFYYJRAWAU-QFIPXVFZSA-N
MW479.41 g/mol
LogP7.45
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide

4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide (PubChem CID 146500600) has the molecular formula C27H24Cl2N2O2 and a molecular weight of 479.41 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide
PubChem CID146500600
Molecular FormulaC27H24Cl2N2O2
Molecular Weight479.41 g/mol
Exact Mass478.12
IUPAC Name4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide
SMILESCC(C)n1c(C(=O)N[C@H]2CCOc3ccccc32)cc2c(-c3cccc(Cl)c3Cl)cccc21
InChIInChI=1S/C27H24Cl2N2O2/c1-16(2)31-23-11-6-8-17(18-9-5-10-21(28)26(18)29)20(23)15-24(31)27(32)30-22-13-14-33-25-12-4-3-7-19(22)25/h3-12,15-16,22H,13-14H2,1-2H3,(H,30,32)/t22-/m0/s1
InChIKeyILWPDFYYJRAWAU-QFIPXVFZSA-N
XLogP7.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-1-benzothiophene-2-carboxamide
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2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
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CID 51116847
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CID 46813722
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
2-(2,3-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46829045
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide (CID 146500600) is 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide is CC(C)n1c(C(=O)N[C@H]2CCOc3ccccc32)cc2c(-c3cccc(Cl)c3Cl)cccc21.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide?
The InChIKey is ILWPDFYYJRAWAU-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H24Cl2N2O2/c1-16(2)31-23-11-6-8-17(18-9-5-10-21(28)26(18)29)20(23)15-24(31)27(32)30-22-13-14-33-25-12-4-3-7-19(22)25/h3-12,15-16,22H,13-14H2,1-2H3,(H,30,32)/t22-/m0/s1.
What are the key properties of 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide?
4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide has a molecular weight of 479.41 g/mol, XLogP of 7.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-propan-2-ylindole-2-carboxamide is sourced from PubChem (CID 146500600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).