3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide

C18H12BrNOS — CID 3770577

IUPAC3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)c1sccc1Br
InChIInChI=1S/C18H12BrNOS/c19-15-9-10-22-17(15)18(21)20-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-10,16H,(H,20,21)
InChIKeyQYZWFVVJDISXQL-UHFFFAOYSA-N
MW370.27 g/mol
LogP5.01
Rot. Bonds2

About 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide

3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide (PubChem CID 3770577) has the molecular formula C18H12BrNOS and a molecular weight of 370.27 g/mol. Its IUPAC name is 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide
PubChem CID3770577
Molecular FormulaC18H12BrNOS
Molecular Weight370.27 g/mol
Exact Mass368.98
IUPAC Name3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide
SMILESO=C(NC1c2ccccc2-c2ccccc21)c1sccc1Br
InChIInChI=1S/C18H12BrNOS/c19-15-9-10-22-17(15)18(21)20-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-10,16H,(H,20,21)
InChIKeyQYZWFVVJDISXQL-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.27
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419
N-(9H-fluoren-9-yl)thiophene-2-carboxamide
CID 712601
3-bromo-N-(2-bromo-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114312819
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
3-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-2-carboxamide
CID 104927269
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
cis-(1S,2R)-2-[(3-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161410
N'-acetyl-3-bromothiophene-2-carbohydrazide
CID 47355220
3-[(3-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63802421
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60779524
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide (CID 3770577) is 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide is O=C(NC1c2ccccc2-c2ccccc21)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide?
The InChIKey is QYZWFVVJDISXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNOS/c19-15-9-10-22-17(15)18(21)20-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-10,16H,(H,20,21).
What are the key properties of 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide?
3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide has a molecular weight of 370.27 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(9H-fluoren-9-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3770577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).