5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide

C17H15ClF3N3O2 — CID 171499854

IUPAC5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cc([C@@H]3COC[C@@H](C(F)F)N3)cc(Cl)n2)ccc1F
InChIInChI=1S/C17H15ClF3N3O2/c18-15-5-9(13-6-26-7-14(23-13)16(20)21)4-12(24-15)8-1-2-11(19)10(3-8)17(22)25/h1-5,13-14,16,23H,6-7H2,(H2,22,25)/t13-,14-/m0/s1
InChIKeyLSUBGDDVNJXMDM-KBPBESRZSA-N
MW385.77 g/mol
LogP2.93
Rot. Bonds4

About 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide

5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide (PubChem CID 171499854) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide
PubChem CID171499854
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESNC(=O)c1cc(-c2cc([C@@H]3COC[C@@H](C(F)F)N3)cc(Cl)n2)ccc1F
InChIInChI=1S/C17H15ClF3N3O2/c18-15-5-9(13-6-26-7-14(23-13)16(20)21)4-12(24-15)8-1-2-11(19)10(3-8)17(22)25/h1-5,13-14,16,23H,6-7H2,(H2,22,25)/t13-,14-/m0/s1
InChIKeyLSUBGDDVNJXMDM-KBPBESRZSA-N
XLogP2.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluoro-N-methylbenzamide
CID 171499203
6-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]pyrimidin-4-amine
CID 177307098
(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine
CID 171499175
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
methyl 3-[5-(3,4,5-trifluorophenyl)morpholin-3-yl]prop-2-enoate
CID 77296121
2-fluoro-5-[2-(methylamino)-4-propan-2-ylpyrimidin-5-yl]benzamide
CID 134467314
2-fluoro-5-hydroxybenzamide
CID 59402772
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
CID 116675472
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide (CID 171499854) is 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide is NC(=O)c1cc(-c2cc([C@@H]3COC[C@@H](C(F)F)N3)cc(Cl)n2)ccc1F.
What is the InChIKey of 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is LSUBGDDVNJXMDM-KBPBESRZSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-15-5-9(13-6-26-7-14(23-13)16(20)21)4-12(24-15)8-1-2-11(19)10(3-8)17(22)25/h1-5,13-14,16,23H,6-7H2,(H2,22,25)/t13-,14-/m0/s1.
What are the key properties of 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide?
5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 385.77 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-4-[(3R,5S)-5-(difluoromethyl)morpholin-3-yl]-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 171499854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).