N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide

C18H16F6N2O2 — CID 1241502

IUPACN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H16F6N2O2/c1-2-28-14-11-7-6-10-13(14)15(27)26-16(17(19,20)21,18(22,23)24)25-12-8-4-3-5-9-12/h3-11,25H,2H2,1H3,(H,26,27)
InChIKeyNIDLZKLXUXJNJF-UHFFFAOYSA-N
MW406.33 g/mol
LogP4.75
Rot. Bonds6

About N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide

N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide (PubChem CID 1241502) has the molecular formula C18H16F6N2O2 and a molecular weight of 406.33 g/mol. Its IUPAC name is N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide
PubChem CID1241502
Molecular FormulaC18H16F6N2O2
Molecular Weight406.33 g/mol
Exact Mass406.11
IUPAC NameN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H16F6N2O2/c1-2-28-14-11-7-6-10-13(14)15(27)26-16(17(19,20)21,18(22,23)24)25-12-8-4-3-5-9-12/h3-11,25H,2H2,1H3,(H,26,27)
InChIKeyNIDLZKLXUXJNJF-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-ethoxybenzamide
CID 2729352
ethyl 2-[(2-ethoxybenzoyl)amino]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2729392
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79806934
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-(2-cyanopropan-2-yl)-2-ethoxybenzamide
CID 54904382
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
N-(3-carbamothioylpentan-3-yl)-2-ethoxybenzamide
CID 61121162
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
N-[4-[[(2-ethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4926581

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide?
The IUPAC name of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide (CID 1241502) is N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide?
The InChIKey is NIDLZKLXUXJNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O2/c1-2-28-14-11-7-6-10-13(14)15(27)26-16(17(19,20)21,18(22,23)24)25-12-8-4-3-5-9-12/h3-11,25H,2H2,1H3,(H,26,27).
What are the key properties of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide?
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide has a molecular weight of 406.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-ethoxybenzamide is sourced from PubChem (CID 1241502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).