N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide

C10H8BrF4NO2 — CID 113250998

IUPACN-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCOc1ccc(Br)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H8BrF4NO2/c1-18-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeySMECLHUCIGCFGW-UHFFFAOYSA-N
MW330.08 g/mol
LogP3.30
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide

N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 113250998) has the molecular formula C10H8BrF4NO2 and a molecular weight of 330.08 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID113250998
Molecular FormulaC10H8BrF4NO2
Molecular Weight330.08 g/mol
Exact Mass328.97
IUPAC NameN-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCOc1ccc(Br)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H8BrF4NO2/c1-18-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeySMECLHUCIGCFGW-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
N-(2,5-diethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103732240
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733456
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732147
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
CID 80545007
N-(2,6-dibromo-4-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114033268

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide (CID 113250998) is N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide is COc1ccc(Br)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is SMECLHUCIGCFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4NO2/c1-18-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 330.08 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113250998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).