[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone

C20H20F2N2O2 — CID 175763993

IUPAC[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone
SMILESN[C@]1(C(=O)c2ccc(F)cc2)CCCC[C@]1(N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20F2N2O2/c21-15-7-3-13(4-8-15)17(25)19(23)11-1-2-12-20(19,24)18(26)14-5-9-16(22)10-6-14/h3-10H,1-2,11-12,23-24H2/t19-,20-/m0/s1
InChIKeyHUNCUEREZXKKRI-PMACEKPBSA-N
MW358.39 g/mol
LogP3.00
Rot. Bonds4

About [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone

[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone (PubChem CID 175763993) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone
PubChem CID175763993
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone
SMILESN[C@]1(C(=O)c2ccc(F)cc2)CCCC[C@]1(N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20F2N2O2/c21-15-7-3-13(4-8-15)17(25)19(23)11-1-2-12-20(19,24)18(26)14-5-9-16(22)10-6-14/h3-10H,1-2,11-12,23-24H2/t19-,20-/m0/s1
InChIKeyHUNCUEREZXKKRI-PMACEKPBSA-N
XLogP3.00
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921067
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
(4-fluorophenyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569947
(4-fluorophenyl)-[(1S)-1,2,2,6-tetramethylcyclohexyl]methanone
CID 71117226
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119299556
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
CID 69121595
(1-aminocyclopentyl)-(4-phenylphenyl)methanone
CID 116558729

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone?
The IUPAC name of [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone (CID 175763993) is [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone is N[C@]1(C(=O)c2ccc(F)cc2)CCCC[C@]1(N)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone?
The InChIKey is HUNCUEREZXKKRI-PMACEKPBSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-15-7-3-13(4-8-15)17(25)19(23)11-1-2-12-20(19,24)18(26)14-5-9-16(22)10-6-14/h3-10H,1-2,11-12,23-24H2/t19-,20-/m0/s1.
What are the key properties of [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone?
[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone has a molecular weight of 358.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 175763993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).