N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H13BrFNO — CID 106703873

IUPACN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C16H13BrFNO/c17-14-6-5-13(18)9-15(14)19-16(20)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8H2,(H,19,20)
InChIKeyRTGZKNKIRWQCOF-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.94
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106703873) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106703873
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C16H13BrFNO/c17-14-6-5-13(18)9-15(14)19-16(20)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8H2,(H,19,20)
InChIKeyRTGZKNKIRWQCOF-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893007
N-(2-bromo-4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901205
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(2-bromo-5-fluorophenyl)oxane-3-carboxamide
CID 103753605
(2-bromo-5-fluorophenyl)urea
CID 99639427
N-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103754877
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
N-(4-bromo-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704334

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106703873) is N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1cc(F)ccc1Br)C1Cc2ccccc2C1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is RTGZKNKIRWQCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-14-6-5-13(18)9-15(14)19-16(20)12-7-10-3-1-2-4-11(10)8-12/h1-6,9,12H,7-8H2,(H,19,20).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 334.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106703873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).