2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide

C18H16BrF4NO2 — CID 86890323

IUPAC2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Br)Nc1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C18H16BrF4NO2/c19-15-7-2-1-5-13(15)9-16(25)24-14-6-3-4-12(8-14)10-26-11-18(22,23)17(20)21/h1-8,17H,9-11H2,(H,24,25)
InChIKeyQRSVWYFSSHOKKI-UHFFFAOYSA-N
MW434.23 g/mol
LogP5.05
Rot. Bonds8

About 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide

2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide (PubChem CID 86890323) has the molecular formula C18H16BrF4NO2 and a molecular weight of 434.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
PubChem CID86890323
Molecular FormulaC18H16BrF4NO2
Molecular Weight434.23 g/mol
Exact Mass433.03
IUPAC Name2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Br)Nc1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C18H16BrF4NO2/c19-15-7-2-1-5-13(15)9-16(25)24-14-6-3-4-12(8-14)10-26-11-18(22,23)17(20)21/h1-8,17H,9-11H2,(H,24,25)
InChIKeyQRSVWYFSSHOKKI-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.23
LogP ≤ 55.05
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

1-(2-hydroxy-1-phenylethyl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 87003591
N-[(2-fluorophenyl)methyl]-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)anilino]propanamide
CID 86953510
3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
CID 51118830
1-[1-(2,5-dimethylphenyl)ethyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 55770303
1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86904726
1-(1-phenylpiperidin-3-yl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86960333
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
(2R,3S)-2-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120925437
1-(4-fluorophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]triazole-4-carboxamide
CID 86881382
1-(2-ethylphenyl)-3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]thiourea
CID 4866990

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide (CID 86890323) is 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide is O=C(Cc1ccccc1Br)Nc1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide?
The InChIKey is QRSVWYFSSHOKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF4NO2/c19-15-7-2-1-5-13(15)9-16(25)24-14-6-3-4-12(8-14)10-26-11-18(22,23)17(20)21/h1-8,17H,9-11H2,(H,24,25).
What are the key properties of 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide?
2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide has a molecular weight of 434.23 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]acetamide is sourced from PubChem (CID 86890323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).