N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide

C17H13F6NO2 — CID 1371534

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F6NO2/c1-2-26-14-5-3-4-10(6-14)15(25)24-13-8-11(16(18,19)20)7-12(9-13)17(21,22)23/h3-9H,2H2,1H3,(H,24,25)
InChIKeyLRBRCLWIEJMADQ-UHFFFAOYSA-N
MW377.28 g/mol
LogP5.38
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide (PubChem CID 1371534) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
PubChem CID1371534
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F6NO2/c1-2-26-14-5-3-4-10(6-14)15(25)24-13-8-11(16(18,19)20)7-12(9-13)17(21,22)23/h3-9H,2H2,1H3,(H,24,25)
InChIKeyLRBRCLWIEJMADQ-UHFFFAOYSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide (CID 1371534) is N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide?
The InChIKey is LRBRCLWIEJMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c1-2-26-14-5-3-4-10(6-14)15(25)24-13-8-11(16(18,19)20)7-12(9-13)17(21,22)23/h3-9H,2H2,1H3,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide has a molecular weight of 377.28 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 1371534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).