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

C19H24ClN2O+ — CID 8599384

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-6-3-4-7-16(14)10-11-21-19(23)13-22-15(2)17-8-5-9-18(20)12-17/h3-9,12,15,22H,10-11,13H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1
InChIKeyQOPZHHFESDHNHO-OAHLLOKOSA-O
MW331.87 g/mol
LogP2.63
Rot. Bonds7

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

[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8599384) has the molecular formula C19H24ClN2O+ and a molecular weight of 331.87 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID8599384
Molecular FormulaC19H24ClN2O+
Molecular Weight331.87 g/mol
Exact Mass331.16
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O/c1-14-6-3-4-7-16(14)10-11-21-19(23)13-22-15(2)17-8-5-9-18(20)12-17/h3-9,12,15,22H,10-11,13H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1
InChIKeyQOPZHHFESDHNHO-OAHLLOKOSA-O
XLogP2.63
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599438
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9307671
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865900

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (CID 8599384) is [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is Cc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is QOPZHHFESDHNHO-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H23ClN2O/c1-14-6-3-4-7-16(14)10-11-21-19(23)13-22-15(2)17-8-5-9-18(20)12-17/h3-9,12,15,22H,10-11,13H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 331.87 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8599384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).