5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide

C19H21ClN2O3 — CID 51263861

IUPAC5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide
SMILESCc1cc(C)c(NC(=O)C(C)Oc2ccc(Cl)cc2C(N)=O)c(C)c1
InChIInChI=1S/C19H21ClN2O3/c1-10-7-11(2)17(12(3)8-10)22-19(24)13(4)25-16-6-5-14(20)9-15(16)18(21)23/h5-9,13H,1-4H3,(H2,21,23)(H,22,24)
InChIKeyNFVLEJARDRAAAQ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.77
Rot. Bonds5

About 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide

5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide (PubChem CID 51263861) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide
PubChem CID51263861
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide
SMILESCc1cc(C)c(NC(=O)C(C)Oc2ccc(Cl)cc2C(N)=O)c(C)c1
InChIInChI=1S/C19H21ClN2O3/c1-10-7-11(2)17(12(3)8-10)22-19(24)13(4)25-16-6-5-14(20)9-15(16)18(21)23/h5-9,13H,1-4H3,(H2,21,23)(H,22,24)
InChIKeyNFVLEJARDRAAAQ-UHFFFAOYSA-N
XLogP3.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9362462
(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-chloro-2-nitrobenzoate
CID 2602567
(2R)-2-[2-iodo-5-methyl-3-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxyphenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 52916896
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862687
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
CID 60623246

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide?
The IUPAC name of 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide (CID 51263861) is 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide.
What is the SMILES notation for 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide?
The canonical SMILES for 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide is Cc1cc(C)c(NC(=O)C(C)Oc2ccc(Cl)cc2C(N)=O)c(C)c1.
What is the InChIKey of 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide?
The InChIKey is NFVLEJARDRAAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-10-7-11(2)17(12(3)8-10)22-19(24)13(4)25-16-6-5-14(20)9-15(16)18(21)23/h5-9,13H,1-4H3,(H2,21,23)(H,22,24).
What are the key properties of 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide?
5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide is sourced from PubChem (CID 51263861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).