N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide

C17H16ClF3N2O2 — CID 89056959

IUPACN-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide
SMILESCNc1ccc(Cl)cc1C(O)(c1ccccc1)N(C=O)CC(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c1-22-15-8-7-13(18)9-14(15)17(25,12-5-3-2-4-6-12)23(11-24)10-16(19,20)21/h2-9,11,22,25H,10H2,1H3
InChIKeyYUFRXHJBPVDFMV-UHFFFAOYSA-N
MW372.77 g/mol
LogP3.60
Rot. Bonds6

About N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide

N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 89056959) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide
PubChem CID89056959
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC NameN-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide
SMILESCNc1ccc(Cl)cc1C(O)(c1ccccc1)N(C=O)CC(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c1-22-15-8-7-13(18)9-14(15)17(25,12-5-3-2-4-6-12)23(11-24)10-16(19,20)21/h2-9,11,22,25H,10H2,1H3
InChIKeyYUFRXHJBPVDFMV-UHFFFAOYSA-N
XLogP3.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide (CID 89056959) is N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide is CNc1ccc(Cl)cc1C(O)(c1ccccc1)N(C=O)CC(F)(F)F.
What is the InChIKey of N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is YUFRXHJBPVDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-22-15-8-7-13(18)9-14(15)17(25,12-5-3-2-4-6-12)23(11-24)10-16(19,20)21/h2-9,11,22,25H,10H2,1H3.
What are the key properties of N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide?
N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 372.77 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(methylamino)phenyl]-hydroxy-phenylmethyl]-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 89056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).