N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide

C12H14ClFN2O — CID 175943327

IUPACN-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H14ClFN2O/c13-8-3-7(4-9(14)5-8)12(17)16-11-2-1-10(15)6-11/h3-5,10-11H,1-2,6,15H2,(H,16,17)/t10-,11-/m1/s1
InChIKeyNWRGMAOVMJXSHP-GHMZBOCLSA-N
MW256.71 g/mol
LogP2.09
Rot. Bonds2

About N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide

N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide (PubChem CID 175943327) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
PubChem CID175943327
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
SMILESN[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C12H14ClFN2O/c13-8-3-7(4-9(14)5-8)12(17)16-11-2-1-10(15)6-11/h3-5,10-11H,1-2,6,15H2,(H,16,17)/t10-,11-/m1/s1
InChIKeyNWRGMAOVMJXSHP-GHMZBOCLSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(1S,3S)-3-[(2-cyclohexyl-2-fluoroethyl)amino]cyclopentyl]-5-fluorobenzamide
CID 169215348
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
CID 169215317
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide
CID 81478632
3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
CID 169215344
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide;hydrochloride
CID 119476689
3-chloro-5-fluoro-N-[(1R,3S)-3-(1H-indol-2-ylmethylamino)cyclopentyl]benzamide
CID 169215528
3-chloro-N-[3-(2,2-dimethylbutylamino)cyclobutyl]-5-fluorobenzamide
CID 169215470
3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
CID 169215562
3-chloro-N-[3-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]cyclobutyl]-5-fluorobenzamide
CID 169215481

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide (CID 175943327) is N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide is N[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide?
The InChIKey is NWRGMAOVMJXSHP-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-8-3-7(4-9(14)5-8)12(17)16-11-2-1-10(15)6-11/h3-5,10-11H,1-2,6,15H2,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide?
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide has a molecular weight of 256.71 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide is sourced from PubChem (CID 175943327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).