3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide

C23H12Cl2F8N2O2 — CID 153361413

IUPAC3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)c1F)c1ccccc1
InChIInChI=1S/C23H12Cl2F8N2O2/c24-14-9-12(21(27,22(28,29)30)23(31,32)33)10-15(25)18(14)35-20(37)13-7-4-8-16(17(13)26)34-19(36)11-5-2-1-3-6-11/h1-10H,(H,34,36)(H,35,37)
InChIKeyTZIGCKPEYQPKEJ-UHFFFAOYSA-N
MW571.25 g/mol
LogP7.93
Rot. Bonds5

About 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide

3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide (PubChem CID 153361413) has the molecular formula C23H12Cl2F8N2O2 and a molecular weight of 571.25 g/mol. Its IUPAC name is 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide
PubChem CID153361413
Molecular FormulaC23H12Cl2F8N2O2
Molecular Weight571.25 g/mol
Exact Mass570.01
IUPAC Name3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)c1F)c1ccccc1
InChIInChI=1S/C23H12Cl2F8N2O2/c24-14-9-12(21(27,22(28,29)30)23(31,32)33)10-15(25)18(14)35-20(37)13-7-4-8-16(17(13)26)34-19(36)11-5-2-1-3-6-11/h1-10H,(H,34,36)(H,35,37)
InChIKeyTZIGCKPEYQPKEJ-UHFFFAOYSA-N
XLogP7.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.25
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]benzamide
CID 162620992
3-[benzoyl(methyl)amino]-N-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 87288766
N-[2,6-diiodo-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]-2-fluoro-3-(hydroxyamino)benzamide
CID 170782750
CID 162561475
CID 162561475
N-[3-[[2,6-dichloro-4-(2,2,2-trifluoro-1-hydroxy-1-thiophen-3-ylethyl)phenyl]carbamoyl]-2-fluorophenyl]-2,4,6-trifluorobenzamide
CID 86674612
N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-3-(3-carbamoylphenyl)-2-fluorobenzamide
CID 87358803
3-amino-N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide;N-[2-bromo-6-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluoro-3-(propylamino)benzamide;methanol
CID 160770244
2-chloro-N-[3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 87288749
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045
3-[(3-cyanobenzoyl)amino]-2-fluoro-N-[2-iodo-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)-6-(trifluoromethyl)phenyl]benzamide
CID 87288830
3-benzamido-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-N-(cyclopropanecarbonyl)-2-fluorobenzamide
CID 172552530
N-[3-[[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]carbamoyl]-2-fluorophenyl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 146573644

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide (CID 153361413) is 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide is O=C(Nc1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Cl)c1F)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide?
The InChIKey is TZIGCKPEYQPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl2F8N2O2/c24-14-9-12(21(27,22(28,29)30)23(31,32)33)10-15(25)18(14)35-20(37)13-7-4-8-16(17(13)26)34-19(36)11-5-2-1-3-6-11/h1-10H,(H,34,36)(H,35,37).
What are the key properties of 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide?
3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide has a molecular weight of 571.25 g/mol, XLogP of 7.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 153361413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).