2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide

C19H17ClF6N2O5 — CID 175096861

IUPAC2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1N(OCCO)OCCO
InChIInChI=1S/C19H17ClF6N2O5/c20-13-1-2-16(28(32-5-3-29)33-6-4-30)15(10-13)17(31)27-14-8-11(18(21,22)23)7-12(9-14)19(24,25)26/h1-2,7-10,29-30H,3-6H2,(H,27,31)
InChIKeyCFEYNKSFADGFKP-UHFFFAOYSA-N
MW502.80 g/mol
LogP4.28
Rot. Bonds9

About 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide

2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide (PubChem CID 175096861) has the molecular formula C19H17ClF6N2O5 and a molecular weight of 502.80 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide
PubChem CID175096861
Molecular FormulaC19H17ClF6N2O5
Molecular Weight502.80 g/mol
Exact Mass502.07
IUPAC Name2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1N(OCCO)OCCO
InChIInChI=1S/C19H17ClF6N2O5/c20-13-1-2-16(28(32-5-3-29)33-6-4-30)15(10-13)17(31)27-14-8-11(18(21,22)23)7-12(9-14)19(24,25)26/h1-2,7-10,29-30H,3-6H2,(H,27,31)
InChIKeyCFEYNKSFADGFKP-UHFFFAOYSA-N
XLogP4.28
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.80
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-nitrobenzamide
CID 34198576
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-(2-oxo-3-phenylpropoxy)benzamide
CID 10369262
[4-chloro-2-[[3-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl] dihydrogen phosphate;bis(2-(2-hydroxyethylamino)ethanol);methane
CID 160546595
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
CID 2268598
[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] bis(2-trimethylsilylethyl) phosphate;N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 159931840
[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] iodosulfanylmethyl 2-sulfanylethyl phosphate
CID 167058560
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
5-chloro-2-hydroxy-N-[3-naphthalen-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 69017984

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide?
The IUPAC name of 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide (CID 175096861) is 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide.
What is the SMILES notation for 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide?
The canonical SMILES for 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1N(OCCO)OCCO.
What is the InChIKey of 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide?
The InChIKey is CFEYNKSFADGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF6N2O5/c20-13-1-2-16(28(32-5-3-29)33-6-4-30)15(10-13)17(31)27-14-8-11(18(21,22)23)7-12(9-14)19(24,25)26/h1-2,7-10,29-30H,3-6H2,(H,27,31).
What are the key properties of 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide?
2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide has a molecular weight of 502.80 g/mol, XLogP of 4.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethoxy)amino]-N-[3,5-bis(trifluoromethyl)phenyl]-5-chlorobenzamide is sourced from PubChem (CID 175096861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).