[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium

C20H23FN3O2+ — CID 9251816

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-24(12-14-6-8-15(21)9-7-14)13-19(25)23-18-5-3-2-4-17(18)20(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)/p+1
InChIKeyPHVWXJRCPZQJHF-UHFFFAOYSA-O
MW356.42 g/mol
LogP1.37
Rot. Bonds7

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium (PubChem CID 9251816) has the molecular formula C20H23FN3O2+ and a molecular weight of 356.42 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
PubChem CID9251816
Molecular FormulaC20H23FN3O2+
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-24(12-14-6-8-15(21)9-7-14)13-19(25)23-18-5-3-2-4-17(18)20(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)/p+1
InChIKeyPHVWXJRCPZQJHF-UHFFFAOYSA-O
XLogP1.37
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221515
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302760
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287692
(4-fluorophenyl)methyl-[2-(2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 7998678
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 8583964
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101114
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
(4-fluorophenyl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9251939
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010
N-cyclopropyl-2-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 55837800

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium (CID 9251816) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1ccc(F)cc1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The InChIKey is PHVWXJRCPZQJHF-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22FN3O2/c1-24(12-14-6-8-15(21)9-7-14)13-19(25)23-18-5-3-2-4-17(18)20(26)22-16-10-11-16/h2-9,16H,10-13H2,1H3,(H,22,26)(H,23,25)/p+1.
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium has a molecular weight of 356.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 9251816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).