[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C19H18Cl2N2O4 — CID 3692292

IUPAC[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4/c1-11-3-6-14(7-4-11)23-18(25)12(2)27-17(24)10-22-19(26)15-8-5-13(20)9-16(15)21/h3-9,12H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMVWQAVFOLKNFFR-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.60
Rot. Bonds6

About [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 3692292) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID3692292
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCc1ccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4/c1-11-3-6-14(7-4-11)23-18(25)12(2)27-17(24)10-22-19(26)15-8-5-13(20)9-16(15)21/h3-9,12H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMVWQAVFOLKNFFR-UHFFFAOYSA-N
XLogP3.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885211
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 2427750
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735978
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884379
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
[(1R)-1-cyanoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843849
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548014
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
CID 18208940
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 11938439
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2,4-dichlorobenzoate
CID 7873087

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 3692292) is [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate is Cc1ccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is MVWQAVFOLKNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-11-3-6-14(7-4-11)23-18(25)12(2)27-17(24)10-22-19(26)15-8-5-13(20)9-16(15)21/h3-9,12H,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 409.27 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 3692292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).