N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide

C17H9ClF9NO2 — CID 21203394

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C17H9ClF9NO2/c18-11-6-3-9(15(20,21)22)7-12(11)28-13(29)8-1-4-10(5-2-8)30-17(26,27)14(19)16(23,24)25/h1-7,14H,(H,28,29)
InChIKeyDGAMFFLNJMQMQZ-UHFFFAOYSA-N
MW465.70 g/mol
LogP6.48
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide (PubChem CID 21203394) has the molecular formula C17H9ClF9NO2 and a molecular weight of 465.70 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide
PubChem CID21203394
Molecular FormulaC17H9ClF9NO2
Molecular Weight465.70 g/mol
Exact Mass465.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C17H9ClF9NO2/c18-11-6-3-9(15(20,21)22)7-12(11)28-13(29)8-1-4-10(5-2-8)30-17(26,27)14(19)16(23,24)25/h1-7,14H,(H,28,29)
InChIKeyDGAMFFLNJMQMQZ-UHFFFAOYSA-N
XLogP6.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.70
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 1335728
N-(3-chloro-2-methylphenyl)-4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 4055440
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789
4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 28946954
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzoic acid
CID 56628976
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 17173190
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide (CID 21203394) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide?
The InChIKey is DGAMFFLNJMQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF9NO2/c18-11-6-3-9(15(20,21)22)7-12(11)28-13(29)8-1-4-10(5-2-8)30-17(26,27)14(19)16(23,24)25/h1-7,14H,(H,28,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide has a molecular weight of 465.70 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(1,1,2,3,3,3-hexafluoropropoxy)benzamide is sourced from PubChem (CID 21203394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).