3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C15H20F3N3O3 — CID 23140293

IUPAC3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CC(N(CCO)CCO)C1
InChIInChI=1S/C15H20F3N3O3/c16-15(17,18)11-2-1-3-12(8-11)19-14(24)21-9-13(10-21)20(4-6-22)5-7-23/h1-3,8,13,22-23H,4-7,9-10H2,(H,19,24)
InChIKeyNGBNEVWZJLKQLV-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.21
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 23140293) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID23140293
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CC(N(CCO)CCO)C1
InChIInChI=1S/C15H20F3N3O3/c16-15(17,18)11-2-1-3-12(8-11)19-14(24)21-9-13(10-21)20(4-6-22)5-7-23/h1-3,8,13,22-23H,4-7,9-10H2,(H,19,24)
InChIKeyNGBNEVWZJLKQLV-UHFFFAOYSA-N
XLogP1.21
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140227
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501333
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
1-(2-hydroxyethyl)-1-(thian-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 122150164
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
methyl 3-[[3-(dipropylamino)azetidine-1-carbonyl]amino]benzoate
CID 23140433

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 23140293) is 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CC(N(CCO)CCO)C1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is NGBNEVWZJLKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c16-15(17,18)11-2-1-3-12(8-11)19-14(24)21-9-13(10-21)20(4-6-22)5-7-23/h1-3,8,13,22-23H,4-7,9-10H2,(H,19,24).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 23140293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).