[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium

C19H24ClN2O2+ — CID 8646046

IUPAC[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H23ClN2O2/c1-4-18(14-8-10-17(24-3)11-9-14)21-13(2)19(23)22-16-7-5-6-15(20)12-16/h5-13,18,21H,4H2,1-3H3,(H,22,23)/p+1/t13-,18-/m0/s1
InChIKeyPMVQAHUFMSVEOJ-UGSOOPFHSA-O
MW347.87 g/mol
LogP3.39
Rot. Bonds7

About [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium

[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium (PubChem CID 8646046) has the molecular formula C19H24ClN2O2+ and a molecular weight of 347.87 g/mol. Its IUPAC name is [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
PubChem CID8646046
Molecular FormulaC19H24ClN2O2+
Molecular Weight347.87 g/mol
Exact Mass347.15
IUPAC Name[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
SMILESCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H23ClN2O2/c1-4-18(14-8-10-17(24-3)11-9-14)21-13(2)19(23)22-16-7-5-6-15(20)12-16/h5-13,18,21H,4H2,1-3H3,(H,22,23)/p+1/t13-,18-/m0/s1
InChIKeyPMVQAHUFMSVEOJ-UGSOOPFHSA-O
XLogP3.39
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium with MolForge

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Related Compounds

[(1S)-1-(4-methoxyphenyl)propyl]-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium
CID 8646102
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium
CID 8646070
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium
CID 2412456
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
1-(3-chlorophenyl)-3-[1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 132652765
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-(3-chlorophenyl)-2-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]sulfanyl]propanamide
CID 53292646
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate
CID 7146984
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The IUPAC name of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium (CID 8646046) is [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium.
What is the SMILES notation for [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The canonical SMILES for [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium is CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1)c1ccc(OC)cc1.
What is the InChIKey of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
The InChIKey is PMVQAHUFMSVEOJ-UGSOOPFHSA-O. The full InChI is InChI=1S/C19H23ClN2O2/c1-4-18(14-8-10-17(24-3)11-9-14)21-13(2)19(23)22-16-7-5-6-15(20)12-16/h5-13,18,21H,4H2,1-3H3,(H,22,23)/p+1/t13-,18-/m0/s1.
What are the key properties of [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium?
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium has a molecular weight of 347.87 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(1S)-1-(4-methoxyphenyl)propyl]azanium is sourced from PubChem (CID 8646046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).