3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide

C17H16ClF4N3O2 — CID 169215562

IUPAC3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CC[C@H](NCc2coc(C(F)(F)F)n2)C1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C17H16ClF4N3O2/c18-10-3-9(4-11(19)5-10)15(26)24-13-2-1-12(6-13)23-7-14-8-27-16(25-14)17(20,21)22/h3-5,8,12-13,23H,1-2,6-7H2,(H,24,26)/t12-,13-/m0/s1
InChIKeyAHJONQOAPLETPM-STQMWFEESA-N
MW405.78 g/mol
LogP3.93
Rot. Bonds5

About 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide

3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide (PubChem CID 169215562) has the molecular formula C17H16ClF4N3O2 and a molecular weight of 405.78 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
PubChem CID169215562
Molecular FormulaC17H16ClF4N3O2
Molecular Weight405.78 g/mol
Exact Mass405.09
IUPAC Name3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
SMILESO=C(N[C@H]1CC[C@H](NCc2coc(C(F)(F)F)n2)C1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C17H16ClF4N3O2/c18-10-3-9(4-11(19)5-10)15(26)24-13-2-1-12(6-13)23-7-14-8-27-16(25-14)17(20,21)22/h3-5,8,12-13,23H,1-2,6-7H2,(H,24,26)/t12-,13-/m0/s1
InChIKeyAHJONQOAPLETPM-STQMWFEESA-N
XLogP3.93
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.78
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-fluoro-N-[(1R,3S)-3-(1H-indol-2-ylmethylamino)cyclopentyl]benzamide
CID 169215528
3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
CID 169215344
3-chloro-N-[(1S,3S)-3-[(2-cyclohexyl-2-fluoroethyl)amino]cyclopentyl]-5-fluorobenzamide
CID 169215348
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
CID 175943327
3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
CID 169215317
3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
CID 169215470
3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide
CID 169215479
3-chloro-N-[3-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]cyclobutyl]-5-fluorobenzamide
CID 169215481
N-[[2-(2,4,6-trifluorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288388
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
3-chloro-N-[3-(2-cyclopentylethylamino)-1-methylcyclobutyl]-5-fluorobenzamide
CID 169215368

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide (CID 169215562) is 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide is O=C(N[C@H]1CC[C@H](NCc2coc(C(F)(F)F)n2)C1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide?
The InChIKey is AHJONQOAPLETPM-STQMWFEESA-N. The full InChI is InChI=1S/C17H16ClF4N3O2/c18-10-3-9(4-11(19)5-10)15(26)24-13-2-1-12(6-13)23-7-14-8-27-16(25-14)17(20,21)22/h3-5,8,12-13,23H,1-2,6-7H2,(H,24,26)/t12-,13-/m0/s1.
What are the key properties of 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide?
3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide has a molecular weight of 405.78 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide is sourced from PubChem (CID 169215562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).