2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide

C16H14BrClF3NO3 — CID 55542764

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C16H14BrClF3NO3/c1-10(25-14-5-4-11(18)7-13(14)17)15(23)22(9-16(19,20)21)8-12-3-2-6-24-12/h2-7,10H,8-9H2,1H3
InChIKeyYVNMDTWRMDYBRZ-UHFFFAOYSA-N
MW440.64 g/mol
LogP5.05
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 55542764) has the molecular formula C16H14BrClF3NO3 and a molecular weight of 440.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID55542764
Molecular FormulaC16H14BrClF3NO3
Molecular Weight440.64 g/mol
Exact Mass438.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C16H14BrClF3NO3/c1-10(25-14-5-4-11(18)7-13(14)17)15(23)22(9-16(19,20)21)8-12-3-2-6-24-12/h2-7,10H,8-9H2,1H3
InChIKeyYVNMDTWRMDYBRZ-UHFFFAOYSA-N
XLogP5.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 78874055
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N,N-bis(furan-2-ylmethyl)propanamide
CID 40639487
2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 86997262
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902118
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
4-amino-5-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 64890856
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873434

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 55542764) is 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YVNMDTWRMDYBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClF3NO3/c1-10(25-14-5-4-11(18)7-13(14)17)15(23)22(9-16(19,20)21)8-12-3-2-6-24-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 440.64 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 55542764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).