[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium

C17H19ClFN2O+ — CID 9035345

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H18ClFN2O/c1-12-9-14(18)7-8-16(12)20-17(22)11-21(2)10-13-5-3-4-6-15(13)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyNUVSFQSODLEFDJ-UHFFFAOYSA-O
MW321.80 g/mol
LogP2.44
Rot. Bonds5

About [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium

[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 9035345) has the molecular formula C17H19ClFN2O+ and a molecular weight of 321.80 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID9035345
Molecular FormulaC17H19ClFN2O+
Molecular Weight321.80 g/mol
Exact Mass321.12
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESCc1cc(Cl)ccc1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H18ClFN2O/c1-12-9-14(18)7-8-16(12)20-17(22)11-21(2)10-13-5-3-4-6-15(13)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeyNUVSFQSODLEFDJ-UHFFFAOYSA-O
XLogP2.44
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
1,3-benzothiazol-2-ylmethyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 8802121
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9034400
(2-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9035205
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797925
[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035217
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-[(2-methylphenyl)methyl]azanium
CID 8964419
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium (CID 9035345) is [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is Cc1cc(Cl)ccc1NC(=O)C[NH+](C)Cc1ccccc1F.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is NUVSFQSODLEFDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClFN2O/c1-12-9-14(18)7-8-16(12)20-17(22)11-21(2)10-13-5-3-4-6-15(13)19/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1.
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium?
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 321.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 9035345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).