4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

C14H5ClF7NO — CID 86708437

IUPAC4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H5ClF7NO/c15-6-3-1-5(2-4-6)13(24)23-12-10(18)8(16)7(14(20,21)22)9(17)11(12)19/h1-4H,(H,23,24)
InChIKeyVXQLMTCRMJXHHI-UHFFFAOYSA-N
MW371.64 g/mol
LogP5.17
Rot. Bonds2

About 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 86708437) has the molecular formula C14H5ClF7NO and a molecular weight of 371.64 g/mol. Its IUPAC name is 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID86708437
Molecular FormulaC14H5ClF7NO
Molecular Weight371.64 g/mol
Exact Mass370.99
IUPAC Name4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H5ClF7NO/c15-6-3-1-5(2-4-6)13(24)23-12-10(18)8(16)7(14(20,21)22)9(17)11(12)19/h1-4H,(H,23,24)
InChIKeyVXQLMTCRMJXHHI-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.64
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(4-chlorophenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 162594959
4-[(4-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503366
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
N-(3-chloro-2-fluoro-6-iodophenyl)-4-(trifluoromethyl)benzamide
CID 129201826
2-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 53270899
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
1-(pyrazol-1-ylmethyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19264581
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (CID 86708437) is 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VXQLMTCRMJXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5ClF7NO/c15-6-3-1-5(2-4-6)13(24)23-12-10(18)8(16)7(14(20,21)22)9(17)11(12)19/h1-4H,(H,23,24).
What are the key properties of 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 371.64 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 86708437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).