8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide

C22H22BrNO2 — CID 146500546

IUPAC8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide
SMILESCC1=C(C(=O)N[C@H]2CCCc3ccccc32)C(C)c2cccc(Br)c2O1
InChIInChI=1S/C22H22BrNO2/c1-13-16-10-6-11-18(23)21(16)26-14(2)20(13)22(25)24-19-12-5-8-15-7-3-4-9-17(15)19/h3-4,6-7,9-11,13,19H,5,8,12H2,1-2H3,(H,24,25)/t13?,19-/m0/s1
InChIKeyFJTIFHAHQCLRJI-YFKXAPIDSA-N
MW412.33 g/mol
LogP5.41
Rot. Bonds2

About 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide

8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide (PubChem CID 146500546) has the molecular formula C22H22BrNO2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide.

Molecular Properties

Compound Name8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide
PubChem CID146500546
Molecular FormulaC22H22BrNO2
Molecular Weight412.33 g/mol
Exact Mass411.08
IUPAC Name8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide
SMILESCC1=C(C(=O)N[C@H]2CCCc3ccccc32)C(C)c2cccc(Br)c2O1
InChIInChI=1S/C22H22BrNO2/c1-13-16-10-6-11-18(23)21(16)26-14(2)20(13)22(25)24-19-12-5-8-15-7-3-4-9-17(15)19/h3-4,6-7,9-11,13,19H,5,8,12H2,1-2H3,(H,24,25)/t13?,19-/m0/s1
InChIKeyFJTIFHAHQCLRJI-YFKXAPIDSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-2,4-dimethyl-4H-chromene-3-carboxamide
CID 146561803
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47023890
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
1-[3-(dimethylamino)-2-methylphenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126777919

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide?
The IUPAC name of 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide (CID 146500546) is 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide.
What is the SMILES notation for 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide?
The canonical SMILES for 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide is CC1=C(C(=O)N[C@H]2CCCc3ccccc32)C(C)c2cccc(Br)c2O1.
What is the InChIKey of 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide?
The InChIKey is FJTIFHAHQCLRJI-YFKXAPIDSA-N. The full InChI is InChI=1S/C22H22BrNO2/c1-13-16-10-6-11-18(23)21(16)26-14(2)20(13)22(25)24-19-12-5-8-15-7-3-4-9-17(15)19/h3-4,6-7,9-11,13,19H,5,8,12H2,1-2H3,(H,24,25)/t13?,19-/m0/s1.
What are the key properties of 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide?
8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide has a molecular weight of 412.33 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-chromene-3-carboxamide is sourced from PubChem (CID 146500546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).