[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

C15H18ClN2O2+ — CID 9333255

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCc1ccc(Cl)cc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C15H17ClN2O2/c1-11-5-6-12(16)8-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)/p+1
InChIKeyWUKQUEBLEBLALQ-UHFFFAOYSA-O
MW293.77 g/mol
LogP1.89
Rot. Bonds5

About [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 9333255) has the molecular formula C15H18ClN2O2+ and a molecular weight of 293.77 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID9333255
Molecular FormulaC15H18ClN2O2+
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCc1ccc(Cl)cc1NC(=O)C[NH+](C)Cc1ccco1
InChIInChI=1S/C15H17ClN2O2/c1-11-5-6-12(16)8-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)/p+1
InChIKeyWUKQUEBLEBLALQ-UHFFFAOYSA-O
XLogP1.89
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332722
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
furan-2-ylmethyl-methyl-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]azanium
CID 9333436
furan-2-ylmethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-methylazanium
CID 9333240
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8620722
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711982
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8678016
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810265
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 8710504
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9053942

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 9333255) is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is Cc1ccc(Cl)cc1NC(=O)C[NH+](C)Cc1ccco1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is WUKQUEBLEBLALQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClN2O2/c1-11-5-6-12(16)8-14(11)17-15(19)10-18(2)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,17,19)/p+1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 293.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 9333255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).