[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate

C19H19ClN2O4 — CID 2638255

IUPAC[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H19ClN2O4/c1-11-7-12(2)18(16(20)8-11)22-17(24)10-26-19(25)14-5-4-6-15(9-14)21-13(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVPDAPCDNKCHCDZ-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.71
Rot. Bonds5

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2638255) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2638255
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H19ClN2O4/c1-11-7-12(2)18(16(20)8-11)22-17(24)10-26-19(25)14-5-4-6-15(9-14)21-13(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVPDAPCDNKCHCDZ-UHFFFAOYSA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 42970130
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821139
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2636872
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 8018276
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7723024
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 28566936
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803967
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188386

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate (CID 2638255) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is VPDAPCDNKCHCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-11-7-12(2)18(16(20)8-11)22-17(24)10-26-19(25)14-5-4-6-15(9-14)21-13(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 374.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2638255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).