(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium

C17H19ClFN2O+ — CID 9058001

IUPAC(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccccc2Cl)cc1F
InChIInChI=1S/C17H18ClFN2O/c1-12-7-8-14(9-16(12)19)20-17(22)11-21(2)10-13-5-3-4-6-15(13)18/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeySQCOHSXZRNCCHM-UHFFFAOYSA-O
MW321.80 g/mol
LogP2.44
Rot. Bonds5

About (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium

(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9058001) has the molecular formula C17H19ClFN2O+ and a molecular weight of 321.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
PubChem CID9058001
Molecular FormulaC17H19ClFN2O+
Molecular Weight321.80 g/mol
Exact Mass321.12
IUPAC Name(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccccc2Cl)cc1F
InChIInChI=1S/C17H18ClFN2O/c1-12-7-8-14(9-16(12)19)20-17(22)11-21(2)10-13-5-3-4-6-15(13)18/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1
InChIKeySQCOHSXZRNCCHM-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-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
[2-(3-acetylanilino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057793
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057833
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9039568
1,3-benzodioxol-5-ylmethyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 8746696
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 8552339
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium (CID 9058001) is (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium is Cc1ccc(NC(=O)C[NH+](C)Cc2ccccc2Cl)cc1F.
What is the InChIKey of (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is SQCOHSXZRNCCHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClFN2O/c1-12-7-8-14(9-16(12)19)20-17(22)11-21(2)10-13-5-3-4-6-15(13)18/h3-9H,10-11H2,1-2H3,(H,20,22)/p+1.
What are the key properties of (2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium?
(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-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-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9058001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).