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

C20H20ClN2O+ — CID 9330926

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O/c1-14(16-7-4-8-18(21)11-16)22-13-20(24)23-19-10-9-15-5-2-3-6-17(15)12-19/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1
InChIKeyNVDPLRPSHQLTCV-CQSZACIVSA-O
MW339.85 g/mol
LogP3.76
Rot. Bonds5

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

[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium (PubChem CID 9330926) has the molecular formula C20H20ClN2O+ and a molecular weight of 339.85 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
PubChem CID9330926
Molecular FormulaC20H20ClN2O+
Molecular Weight339.85 g/mol
Exact Mass339.13
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O/c1-14(16-7-4-8-18(21)11-16)22-13-20(24)23-19-10-9-15-5-2-3-6-17(15)12-19/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1
InChIKeyNVDPLRPSHQLTCV-CQSZACIVSA-O
XLogP3.76
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[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
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9330762
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[(1S)-1-(3-chlorophenyl)ethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8593369
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium (CID 9330926) is [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium?
The InChIKey is NVDPLRPSHQLTCV-CQSZACIVSA-O. The full InChI is InChI=1S/C20H19ClN2O/c1-14(16-7-4-8-18(21)11-16)22-13-20(24)23-19-10-9-15-5-2-3-6-17(15)12-19/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1/t14-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium has a molecular weight of 339.85 g/mol, XLogP of 3.76, 5 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-(naphthalen-2-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9330926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).