[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium

C21H21ClN3O3+ — CID 9208318

IUPAC[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
SMILESC[NH+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C21H20ClN3O3/c1-25(19(20(26)24-21(23)27)15-5-3-2-4-6-15)13-17-11-12-18(28-17)14-7-9-16(22)10-8-14/h2-12,19H,13H2,1H3,(H3,23,24,26,27)/p+1/t19-/m1/s1
InChIKeyIHMGRBGXYOLRAI-LJQANCHMSA-O
MW398.87 g/mol
LogP2.55
Rot. Bonds6

About [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium (PubChem CID 9208318) has the molecular formula C21H21ClN3O3+ and a molecular weight of 398.87 g/mol. Its IUPAC name is [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
PubChem CID9208318
Molecular FormulaC21H21ClN3O3+
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
SMILESC[NH+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C21H20ClN3O3/c1-25(19(20(26)24-21(23)27)15-5-3-2-4-6-15)13-17-11-12-18(28-17)14-7-9-16(22)10-8-14/h2-12,19H,13H2,1H3,(H3,23,24,26,27)/p+1/t19-/m1/s1
InChIKeyIHMGRBGXYOLRAI-LJQANCHMSA-O
XLogP2.55
TPSA89.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium with MolForge

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Related Compounds

[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787108
[5-(4-chlorophenyl)furan-2-yl]methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium
CID 8857709
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8516766
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
(5-bromothiophen-2-yl)methyl-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8971597
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium
CID 8810227
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8540301
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9039691
[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720910
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653
[(2R)-1-amino-1-oxopropan-2-yl]-[[5-(4-bromophenyl)furan-2-yl]methyl]-methylazanium
CID 8596617

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium?
The IUPAC name of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium (CID 9208318) is [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium.
What is the SMILES notation for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium?
The canonical SMILES for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium is C[NH+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium?
The InChIKey is IHMGRBGXYOLRAI-LJQANCHMSA-O. The full InChI is InChI=1S/C21H20ClN3O3/c1-25(19(20(26)24-21(23)27)15-5-3-2-4-6-15)13-17-11-12-18(28-17)14-7-9-16(22)10-8-14/h2-12,19H,13H2,1H3,(H3,23,24,26,27)/p+1/t19-/m1/s1.
What are the key properties of [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium?
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium has a molecular weight of 398.87 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium is sourced from PubChem (CID 9208318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).