N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide

C18H16Br2FNO2 — CID 17069083

IUPACN-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCC2)C(=O)Nc1c(F)cc(Br)cc1Br
InChIInChI=1S/C18H16Br2FNO2/c1-10(24-14-6-5-11-3-2-4-12(11)7-14)18(23)22-17-15(20)8-13(19)9-16(17)21/h5-10H,2-4H2,1H3,(H,22,23)
InChIKeyBOANAQBFGDOGHH-UHFFFAOYSA-N
MW457.14 g/mol
LogP5.25
Rot. Bonds4

About N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide

N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide (PubChem CID 17069083) has the molecular formula C18H16Br2FNO2 and a molecular weight of 457.14 g/mol. Its IUPAC name is N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide.

Molecular Properties

Compound NameN-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
PubChem CID17069083
Molecular FormulaC18H16Br2FNO2
Molecular Weight457.14 g/mol
Exact Mass454.95
IUPAC NameN-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCC2)C(=O)Nc1c(F)cc(Br)cc1Br
InChIInChI=1S/C18H16Br2FNO2/c1-10(24-14-6-5-11-3-2-4-12(11)7-14)18(23)22-17-15(20)8-13(19)9-16(17)21/h5-10H,2-4H2,1H3,(H,22,23)
InChIKeyBOANAQBFGDOGHH-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.14
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160032
N-(3-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133161949
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 35328998
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 45148000
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
(2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
CID 7643000
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide?
The IUPAC name of N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide (CID 17069083) is N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide.
What is the SMILES notation for N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide?
The canonical SMILES for N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide is CC(Oc1ccc2c(c1)CCC2)C(=O)Nc1c(F)cc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide?
The InChIKey is BOANAQBFGDOGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2FNO2/c1-10(24-14-6-5-11-3-2-4-12(11)7-14)18(23)22-17-15(20)8-13(19)9-16(17)21/h5-10H,2-4H2,1H3,(H,22,23).
What are the key properties of N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide?
N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide has a molecular weight of 457.14 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide is sourced from PubChem (CID 17069083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).