N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C18H18BrNO — CID 106703922

IUPACN-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrNO/c1-2-12-11-16(19)7-8-17(12)20-18(21)15-9-13-5-3-4-6-14(13)10-15/h3-8,11,15H,2,9-10H2,1H3,(H,20,21)
InChIKeyFTFJINKCPCMEFQ-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.36
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106703922) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106703922
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrNO/c1-2-12-11-16(19)7-8-17(12)20-18(21)15-9-13-5-3-4-6-14(13)10-15/h3-8,11,15H,2,9-10H2,1H3,(H,20,21)
InChIKeyFTFJINKCPCMEFQ-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583
(3R)-N-(4-bromo-2-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9004445
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
CID 106740388
3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81004246
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893200
N-[2-(methylaminomethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893270
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
(3R)-N-(4-bromo-2-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260237
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106703922) is N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide is CCc1cc(Br)ccc1NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is FTFJINKCPCMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-2-12-11-16(19)7-8-17(12)20-18(21)15-9-13-5-3-4-6-14(13)10-15/h3-8,11,15H,2,9-10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106703922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).