2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide

C17H19ClFN3O2 — CID 136582999

IUPAC2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide
SMILESN#C[C@H]1CC[C@@H](NC(=O)N2CCOC(c3ccc(F)cc3Cl)C2)C1
InChIInChI=1S/C17H19ClFN3O2/c18-15-8-12(19)2-4-14(15)16-10-22(5-6-24-16)17(23)21-13-3-1-11(7-13)9-20/h2,4,8,11,13,16H,1,3,5-7,10H2,(H,21,23)/t11-,13+,16?/m0/s1
InChIKeySNDBBCKRYZBCQA-OBNKUBODSA-N
MW351.81 g/mol
LogP3.25
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide

2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide (PubChem CID 136582999) has the molecular formula C17H19ClFN3O2 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide
PubChem CID136582999
Molecular FormulaC17H19ClFN3O2
Molecular Weight351.81 g/mol
Exact Mass351.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide
SMILESN#C[C@H]1CC[C@@H](NC(=O)N2CCOC(c3ccc(F)cc3Cl)C2)C1
InChIInChI=1S/C17H19ClFN3O2/c18-15-8-12(19)2-4-14(15)16-10-22(5-6-24-16)17(23)21-13-3-1-11(7-13)9-20/h2,4,8,11,13,16H,1,3,5-7,10H2,(H,21,23)/t11-,13+,16?/m0/s1
InChIKeySNDBBCKRYZBCQA-OBNKUBODSA-N
XLogP3.25
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739
1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 99823003
(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
CID 164630204
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-cyanomorpholine-4-carboxamide
CID 127290864
(2S)-2-(4-chlorophenyl)-N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboxamide
CID 100850236
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 71892979
(2R)-N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 97079092
2-(2-chloro-4-fluorophenyl)-4-(oxolan-3-ylsulfonyl)morpholine
CID 138043834
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 154746798
N-(1-cyanopyrrolidin-3-yl)-2-phenylmorpholine-4-carboxamide
CID 134363678
(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 95183668

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide (CID 136582999) is 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide is N#C[C@H]1CC[C@@H](NC(=O)N2CCOC(c3ccc(F)cc3Cl)C2)C1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide?
The InChIKey is SNDBBCKRYZBCQA-OBNKUBODSA-N. The full InChI is InChI=1S/C17H19ClFN3O2/c18-15-8-12(19)2-4-14(15)16-10-22(5-6-24-16)17(23)21-13-3-1-11(7-13)9-20/h2,4,8,11,13,16H,1,3,5-7,10H2,(H,21,23)/t11-,13+,16?/m0/s1.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide?
2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[(1R,3S)-3-cyanocyclopentyl]morpholine-4-carboxamide is sourced from PubChem (CID 136582999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).