[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium

C22H27FN3O2+ — CID 9300274

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
SMILESNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C22H26FN3O2/c23-18-10-6-16(7-11-18)14-26(20-4-2-1-3-5-20)15-21(27)25-19-12-8-17(9-13-19)22(24)28/h6-13,20H,1-5,14-15H2,(H2,24,28)(H,25,27)/p+1
InChIKeyITRTXSHZMRSDSD-UHFFFAOYSA-O
MW384.48 g/mol
LogP2.28
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium

[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 9300274) has the molecular formula C22H27FN3O2+ and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
PubChem CID9300274
Molecular FormulaC22H27FN3O2+
Molecular Weight384.48 g/mol
Exact Mass384.21
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
SMILESNC(=O)c1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CCCCC2)cc1
InChIInChI=1S/C22H26FN3O2/c23-18-10-6-16(7-11-18)14-26(20-4-2-1-3-5-20)15-21(27)25-19-12-8-17(9-13-19)22(24)28/h6-13,20H,1-5,14-15H2,(H2,24,28)(H,25,27)/p+1
InChIKeyITRTXSHZMRSDSD-UHFFFAOYSA-O
XLogP2.28
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
[2-(3-acetylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8872509
cyclopropyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872593
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905253
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 9300165
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 8710974
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905747
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8906848
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium (CID 9300274) is [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium is NC(=O)c1ccc(NC(=O)C[NH+](Cc2ccc(F)cc2)C2CCCCC2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is ITRTXSHZMRSDSD-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26FN3O2/c23-18-10-6-16(7-11-18)14-26(20-4-2-1-3-5-20)15-21(27)25-19-12-8-17(9-13-19)22(24)28/h6-13,20H,1-5,14-15H2,(H2,24,28)(H,25,27)/p+1.
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium?
[2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 384.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 9300274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).