[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate

C18H18ClNO4 — CID 46620180

IUPAC[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OC(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-12-7-3-6-10-16(12)23-11-17(21)24-13(2)18(22)20-15-9-5-4-8-14(15)19/h3-10,13H,11H2,1-2H3,(H,20,22)
InChIKeyQNTSACLVHJGDAE-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.60
Rot. Bonds6

About [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate

[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate (PubChem CID 46620180) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
PubChem CID46620180
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OC(C)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClNO4/c1-12-7-3-6-10-16(12)23-11-17(21)24-13(2)18(22)20-15-9-5-4-8-14(15)19/h3-10,13H,11H2,1-2H3,(H,20,22)
InChIKeyQNTSACLVHJGDAE-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 7767667
[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 7767659
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 55418976
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 2553969
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953446
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909442
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735384
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 55422486
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55525762

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate (CID 46620180) is [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OC(C)C(=O)Nc1ccccc1Cl.
What is the InChIKey of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate?
The InChIKey is QNTSACLVHJGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12-7-3-6-10-16(12)23-11-17(21)24-13(2)18(22)20-15-9-5-4-8-14(15)19/h3-10,13H,11H2,1-2H3,(H,20,22).
What are the key properties of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate?
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate has a molecular weight of 347.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 46620180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).