4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide

C17H15F4NO2 — CID 7220942

IUPAC4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C17H15F4NO2/c1-11-6-8-12(9-7-11)15(23)22-13-4-2-3-5-14(13)24-10-17(20,21)16(18)19/h2-9,16H,10H2,1H3,(H,22,23)
InChIKeyMGFNLRRZAYINGZ-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.53
Rot. Bonds6

About 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide

4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide (PubChem CID 7220942) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
PubChem CID7220942
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C17H15F4NO2/c1-11-6-8-12(9-7-11)15(23)22-13-4-2-3-5-14(13)24-10-17(20,21)16(18)19/h2-9,16H,10H2,1H3,(H,22,23)
InChIKeyMGFNLRRZAYINGZ-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 30206059
3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 7302997
4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 1247533
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide (CID 7220942) is 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
The InChIKey is MGFNLRRZAYINGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2/c1-11-6-8-12(9-7-11)15(23)22-13-4-2-3-5-14(13)24-10-17(20,21)16(18)19/h2-9,16H,10H2,1H3,(H,22,23).
What are the key properties of 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide?
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide has a molecular weight of 341.30 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide is sourced from PubChem (CID 7220942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).