[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

C18H20ClN2O3+ — CID 9331231

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(13-6-5-7-14(19)10-13)20-11-17(22)21-16-9-4-3-8-15(16)18(23)24-2/h3-10,12,20H,11H2,1-2H3,(H,21,22)/p+1/t12-/m1/s1
InChIKeyMOKUDRSRXRDONS-GFCCVEGCSA-O
MW347.82 g/mol
LogP2.39
Rot. Bonds6

About [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (PubChem CID 9331231) has the molecular formula C18H20ClN2O3+ and a molecular weight of 347.82 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
PubChem CID9331231
Molecular FormulaC18H20ClN2O3+
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(13-6-5-7-14(19)10-13)20-11-17(22)21-16-9-4-3-8-15(16)18(23)24-2/h3-10,12,20H,11H2,1-2H3,(H,21,22)/p+1/t12-/m1/s1
InChIKeyMOKUDRSRXRDONS-GFCCVEGCSA-O
XLogP2.39
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9370103
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]azanium
CID 9376793
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9307671
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium
CID 8599294

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (CID 9331231) is [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The InChIKey is MOKUDRSRXRDONS-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(13-6-5-7-14(19)10-13)20-11-17(22)21-16-9-4-3-8-15(16)18(23)24-2/h3-10,12,20H,11H2,1-2H3,(H,21,22)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium has a molecular weight of 347.82 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9331231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).