[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium

C18H21ClN3O3+ — CID 9435482

IUPAC[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC1CC1)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H20ClN3O3/c1-22(11-17(23)21-18(24)20-14-6-7-14)10-15-8-9-16(25-15)12-2-4-13(19)5-3-12/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,20,21,23,24)/p+1
InChIKeyFAZZZRRALWEYRG-UHFFFAOYSA-O
MW362.84 g/mol
LogP1.60
Rot. Bonds6

About [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium

[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium (PubChem CID 9435482) has the molecular formula C18H21ClN3O3+ and a molecular weight of 362.84 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
PubChem CID9435482
Molecular FormulaC18H21ClN3O3+
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC1CC1)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H20ClN3O3/c1-22(11-17(23)21-18(24)20-14-6-7-14)10-15-8-9-16(25-15)12-2-4-13(19)5-3-12/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,20,21,23,24)/p+1
InChIKeyFAZZZRRALWEYRG-UHFFFAOYSA-O
XLogP1.60
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720910
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(2,6-difluoroanilino)-2-oxoethyl]-methylazanium
CID 9435416
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 9435452
(2-chloro-6-fluorophenyl)methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9197194
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
CID 8596739
[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
CID 8857709
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8909074
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102608
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 9058327
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 7169594
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium (CID 9435482) is [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NC(=O)NC1CC1)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
The InChIKey is FAZZZRRALWEYRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(11-17(23)21-18(24)20-14-6-7-14)10-15-8-9-16(25-15)12-2-4-13(19)5-3-12/h2-5,8-9,14H,6-7,10-11H2,1H3,(H2,20,21,23,24)/p+1.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium?
[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium has a molecular weight of 362.84 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9435482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).