[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate

C19H20ClNO4 — CID 55390087

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate
SMILESCC(OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)N(C)C
InChIInChI=1S/C19H20ClNO4/c1-13(18(22)21(2)3)25-19(23)16-6-4-5-7-17(16)24-12-14-8-10-15(20)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyHZSONZLZZORCQM-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.55
Rot. Bonds6

About [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate

[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 55390087) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate
PubChem CID55390087
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate
SMILESCC(OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)N(C)C
InChIInChI=1S/C19H20ClNO4/c1-13(18(22)21(2)3)25-19(23)16-6-4-5-7-17(16)24-12-14-8-10-15(20)11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyHZSONZLZZORCQM-UHFFFAOYSA-N
XLogP3.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732185
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
(4-methylphenyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 7901065
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42973466
1-[2-[(4-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
CID 141334810
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7853291
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 3681654

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate (CID 55390087) is [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate is CC(OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is HZSONZLZZORCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-13(18(22)21(2)3)25-19(23)16-6-4-5-7-17(16)24-12-14-8-10-15(20)11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate?
[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 361.83 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 55390087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).