ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate

C19H19ClN2O4 — CID 113171636

IUPACethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-3-26-19(25)14-4-8-16(9-5-14)21-18(24)12-22(13(2)23)17-10-6-15(20)7-11-17/h4-11H,3,12H2,1-2H3,(H,21,24)
InChIKeyLKWPWLIJXGEJQE-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.51
Rot. Bonds6

About ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate

ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate (PubChem CID 113171636) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
PubChem CID113171636
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Nameethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-3-26-19(25)14-4-8-16(9-5-14)21-18(24)12-22(13(2)23)17-10-6-15(20)7-11-17/h4-11H,3,12H2,1-2H3,(H,21,24)
InChIKeyLKWPWLIJXGEJQE-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882
ethyl 4-[[2-(N-acetyl-5-chloro-2-methylanilino)acetyl]amino]benzoate
CID 113171974
2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
ethyl 4-[acetyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]benzoate
CID 113178909
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
ethyl 4-[acetyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzoate
CID 113178795
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
ethyl 4-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30171209
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
CID 113172297
ethyl 4-[acetyl-[3-(4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113133372

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate (CID 113171636) is ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate?
The InChIKey is LKWPWLIJXGEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-3-26-19(25)14-4-8-16(9-5-14)21-18(24)12-22(13(2)23)17-10-6-15(20)7-11-17/h4-11H,3,12H2,1-2H3,(H,21,24).
What are the key properties of ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate?
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate is sourced from PubChem (CID 113171636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).