[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

C25H27FN3O2+ — CID 8830328

IUPAC[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
SMILESCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H26FN3O2/c1-3-17-10-12-18(13-11-17)24(19-6-4-8-21(26)14-19)28-16-23(30)29-22-9-5-7-20(15-22)25(31)27-2/h4-15,24,28H,3,16H2,1-2H3,(H,27,31)(H,29,30)/p+1/t24-/m1/s1
InChIKeyCZHUREBEGXMQLG-XMMPIXPASA-O
MW420.51 g/mol
LogP3.04
Rot. Bonds8

About [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium

[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 8830328) has the molecular formula C25H27FN3O2+ and a molecular weight of 420.51 g/mol. Its IUPAC name is [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
PubChem CID8830328
Molecular FormulaC25H27FN3O2+
Molecular Weight420.51 g/mol
Exact Mass420.21
IUPAC Name[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
SMILESCCc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H26FN3O2/c1-3-17-10-12-18(13-11-17)24(19-6-4-8-21(26)14-19)28-16-23(30)29-22-9-5-7-20(15-22)25(31)27-2/h4-15,24,28H,3,16H2,1-2H3,(H,27,31)(H,29,30)/p+1/t24-/m1/s1
InChIKeyCZHUREBEGXMQLG-XMMPIXPASA-O
XLogP3.04
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8992793
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719937
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641344
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720093
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719920
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769614
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769616
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8830128
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium
CID 8830344
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8834577
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium (CID 8830328) is [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(=O)NC)c2)c2cccc(F)c2)cc1.
What is the InChIKey of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
The InChIKey is CZHUREBEGXMQLG-XMMPIXPASA-O. The full InChI is InChI=1S/C25H26FN3O2/c1-3-17-10-12-18(13-11-17)24(19-6-4-8-21(26)14-19)28-16-23(30)29-22-9-5-7-20(15-22)25(31)27-2/h4-15,24,28H,3,16H2,1-2H3,(H,27,31)(H,29,30)/p+1/t24-/m1/s1.
What are the key properties of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium?
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 420.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8830328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).