(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium

C14H18ClFN3O2+ — CID 9197194

IUPAC(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC1CC1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3O2/c1-19(7-10-11(15)3-2-4-12(10)16)8-13(20)18-14(21)17-9-5-6-9/h2-4,9H,5-8H2,1H3,(H2,17,18,20,21)/p+1
InChIKeyIQIGYHQBFVAQDJ-UHFFFAOYSA-O
MW314.77 g/mol
LogP0.48
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium

(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium (PubChem CID 9197194) has the molecular formula C14H18ClFN3O2+ and a molecular weight of 314.77 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
PubChem CID9197194
Molecular FormulaC14H18ClFN3O2+
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC1CC1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3O2/c1-19(7-10-11(15)3-2-4-12(10)16)8-13(20)18-14(21)17-9-5-6-9/h2-4,9H,5-8H2,1H3,(H2,17,18,20,21)/p+1
InChIKeyIQIGYHQBFVAQDJ-UHFFFAOYSA-O
XLogP0.48
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8909074
[2-(2-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2714090
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197406
(2-chloro-6-fluorophenyl)methyl-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197396
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197253
(2-chloro-6-fluorophenyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9197321
(2-chloro-6-fluorophenyl)methyl-methyl-[2-(4-nitroanilino)-2-oxoethyl]azanium
CID 9197353
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9435482

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium (CID 9197194) is (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NC(=O)NC1CC1)Cc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
The InChIKey is IQIGYHQBFVAQDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17ClFN3O2/c1-19(7-10-11(15)3-2-4-12(10)16)8-13(20)18-14(21)17-9-5-6-9/h2-4,9H,5-8H2,1H3,(H2,17,18,20,21)/p+1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium has a molecular weight of 314.77 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9197194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).