N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

C10H7ClF5NO2 — CID 2902173

IUPACN-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOC(F)(C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H7ClF5NO2/c1-19-9(13,10(14,15)16)8(18)17-5-2-3-7(12)6(11)4-5/h2-4H,1H3,(H,17,18)
InChIKeyXDVPPVJPICVBKD-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.29
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide

N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide (PubChem CID 2902173) has the molecular formula C10H7ClF5NO2 and a molecular weight of 303.61 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
PubChem CID2902173
Molecular FormulaC10H7ClF5NO2
Molecular Weight303.61 g/mol
Exact Mass303.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOC(F)(C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H7ClF5NO2/c1-19-9(13,10(14,15)16)8(18)17-5-2-3-7(12)6(11)4-5/h2-4H,1H3,(H,17,18)
InChIKeyXDVPPVJPICVBKD-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-fluorophenyl)-2,2-bis(trifluoromethyl)but-3-enamide
CID 71672811
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
methyl 2-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 118454929
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide (CID 2902173) is N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide is COC(F)(C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The InChIKey is XDVPPVJPICVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO2/c1-19-9(13,10(14,15)16)8(18)17-5-2-3-7(12)6(11)4-5/h2-4H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide?
N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide has a molecular weight of 303.61 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide is sourced from PubChem (CID 2902173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).