[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

C16H19ClN3O3+ — CID 8720910

IUPAC[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClN3O3/c1-18-16(22)19-15(21)10-20(2)9-13-7-8-14(23-13)11-3-5-12(17)6-4-11/h3-8H,9-10H2,1-2H3,(H2,18,19,21,22)/p+1
InChIKeyDXNUZUMWSCFEED-UHFFFAOYSA-O
MW336.80 g/mol
LogP1.07
Rot. Bonds5

About [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium

[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8720910) has the molecular formula C16H19ClN3O3+ and a molecular weight of 336.80 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8720910
Molecular FormulaC16H19ClN3O3+
Molecular Weight336.80 g/mol
Exact Mass336.11
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
SMILESCNC(=O)NC(=O)C[NH+](C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H18ClN3O3/c1-18-16(22)19-15(21)10-20(2)9-13-7-8-14(23-13)11-3-5-12(17)6-4-11/h3-8H,9-10H2,1-2H3,(H2,18,19,21,22)/p+1
InChIKeyDXNUZUMWSCFEED-UHFFFAOYSA-O
XLogP1.07
TPSA75.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)furan-2-yl]methyl-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9435482
[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-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42883929
[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9296230
[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
CID 8857709
2-(4-chlorophenoxy)ethyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8676736
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102608
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
CID 8596739
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 9136710
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium (CID 8720910) is [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is CNC(=O)NC(=O)C[NH+](C)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is DXNUZUMWSCFEED-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClN3O3/c1-18-16(22)19-15(21)10-20(2)9-13-7-8-14(23-13)11-3-5-12(17)6-4-11/h3-8H,9-10H2,1-2H3,(H2,18,19,21,22)/p+1.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium?
[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 336.80 g/mol, XLogP of 1.07, 5 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-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8720910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).