3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide

C20H20ClF3N2O — CID 169215344

IUPAC3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
SMILESO=C(N[C@@H]1CC[C@@H](NCc2cccc(C(F)F)c2)C1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C20H20ClF3N2O/c21-15-7-14(8-16(22)9-15)20(27)26-18-5-4-17(10-18)25-11-12-2-1-3-13(6-12)19(23)24/h1-3,6-9,17-19,25H,4-5,10-11H2,(H,26,27)/t17-,18-/m1/s1
InChIKeyRQMYNQFYRFFKNL-QZTJIDSGSA-N
MW396.84 g/mol
LogP4.86
Rot. Bonds6

About 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide

3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide (PubChem CID 169215344) has the molecular formula C20H20ClF3N2O and a molecular weight of 396.84 g/mol. Its IUPAC name is 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
PubChem CID169215344
Molecular FormulaC20H20ClF3N2O
Molecular Weight396.84 g/mol
Exact Mass396.12
IUPAC Name3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
SMILESO=C(N[C@@H]1CC[C@@H](NCc2cccc(C(F)F)c2)C1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C20H20ClF3N2O/c21-15-7-14(8-16(22)9-15)20(27)26-18-5-4-17(10-18)25-11-12-2-1-3-13(6-12)19(23)24/h1-3,6-9,17-19,25H,4-5,10-11H2,(H,26,27)/t17-,18-/m1/s1
InChIKeyRQMYNQFYRFFKNL-QZTJIDSGSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-[(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-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
CID 169215562
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
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide
CID 169215479
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
3-chloro-N-[3-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]cyclobutyl]-5-fluorobenzamide
CID 169215481
2-(3-chloro-5-fluorophenyl)-N-[3-[2-(4-methoxyphenyl)ethylamino]cyclobutyl]acetamide;3-(difluoromethoxy)-5-fluoro-N-[3-[2-(4-methoxyphenyl)ethylamino]cyclobutyl]benzamide
CID 169215322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide?
The IUPAC name of 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide (CID 169215344) is 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide is O=C(N[C@@H]1CC[C@@H](NCc2cccc(C(F)F)c2)C1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide?
The InChIKey is RQMYNQFYRFFKNL-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H20ClF3N2O/c21-15-7-14(8-16(22)9-15)20(27)26-18-5-4-17(10-18)25-11-12-2-1-3-13(6-12)19(23)24/h1-3,6-9,17-19,25H,4-5,10-11H2,(H,26,27)/t17-,18-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide?
3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide has a molecular weight of 396.84 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide is sourced from PubChem (CID 169215344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).