2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

C20H19F2N5O3 — CID 73425885

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1
InChIKeyGNSVFQNDGIQGFV-GOSISDBHSA-N
MW415.40 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide

2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide (PubChem CID 73425885) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
PubChem CID73425885
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1
InChIKeyGNSVFQNDGIQGFV-GOSISDBHSA-N
XLogP2.78
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide (CID 73425885) is 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
The InChIKey is GNSVFQNDGIQGFV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c21-20(22)30-16-7-5-15(6-8-16)27-24-11-17(26-27)19(28)25-14-3-1-13(2-4-14)18-12-23-9-10-29-18/h1-8,11,18,20,23H,9-10,12H2,(H,25,28)/t18-/m1/s1.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide?
2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[4-[(2S)-morpholin-2-yl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 73425885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).