4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide

C20H21ClF2N5O2P — CID 146577187

IUPAC4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1-n1nccn1)[C@@H](C)COc1ccc(C(F)(F)P)cn1
InChIInChI=1S/C20H21ClF2N5O2P/c1-3-27(13(2)12-30-18-7-4-14(11-24-18)20(22,23)31)19(29)16-6-5-15(21)10-17(16)28-25-8-9-26-28/h4-11,13H,3,12,31H2,1-2H3/t13-/m0/s1
InChIKeyDPUPXFUKQZIBDE-ZDUSSCGKSA-N
MW467.84 g/mol
LogP4.17
Rot. Bonds8

About 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide

4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide (PubChem CID 146577187) has the molecular formula C20H21ClF2N5O2P and a molecular weight of 467.84 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
PubChem CID146577187
Molecular FormulaC20H21ClF2N5O2P
Molecular Weight467.84 g/mol
Exact Mass467.11
IUPAC Name4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1-n1nccn1)[C@@H](C)COc1ccc(C(F)(F)P)cn1
InChIInChI=1S/C20H21ClF2N5O2P/c1-3-27(13(2)12-30-18-7-4-14(11-24-18)20(22,23)31)19(29)16-6-5-15(21)10-17(16)28-25-8-9-26-28/h4-11,13H,3,12,31H2,1-2H3/t13-/m0/s1
InChIKeyDPUPXFUKQZIBDE-ZDUSSCGKSA-N
XLogP4.17
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 138555467
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001
N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 146577185
N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-methyl-2-(triazol-2-yl)benzamide
CID 146576877
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 161459989
4-chloro-N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-fluoro-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;N-ethyl-4-(hydroxymethyl)-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide;bis(N-ethyl-4-methyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide);N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-pyrazol-1-ylbenzamide;N-ethyl-N-[(2S)-1-(5-methylpyrazin-2-yl)oxypropan-2-yl]-2-(triazol-2-yl)benzamide
CID 157062720
5-chloro-N-ethyl-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrazin-2-yl]amino]propan-2-yl]benzamide
CID 137473849
N-ethyl-2-(1-methyl-2-oxo-4-pyridinyl)-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577124
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide
CID 157107935
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
CID 170241702

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide (CID 146577187) is 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1ccc(Cl)cc1-n1nccn1)[C@@H](C)COc1ccc(C(F)(F)P)cn1.
What is the InChIKey of 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
The InChIKey is DPUPXFUKQZIBDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21ClF2N5O2P/c1-3-27(13(2)12-30-18-7-4-14(11-24-18)20(22,23)31)19(29)16-6-5-15(21)10-17(16)28-25-8-9-26-28/h4-11,13H,3,12,31H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide has a molecular weight of 467.84 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 146577187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).