methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate

C18H17ClN2O4 — CID 109009875

IUPACmethyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C18H17ClN2O4/c1-11(22)12-3-6-14(7-4-12)20-10-17(23)21-16-9-13(18(24)25-2)5-8-15(16)19/h3-9,20H,10H2,1-2H3,(H,21,23)
InChIKeyIOAJBDHAKFGGQW-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.38
Rot. Bonds6

About methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate

methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate (PubChem CID 109009875) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
PubChem CID109009875
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Namemethyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C18H17ClN2O4/c1-11(22)12-3-6-14(7-4-12)20-10-17(23)21-16-9-13(18(24)25-2)5-8-15(16)19/h3-9,20H,10H2,1-2H3,(H,21,23)
InChIKeyIOAJBDHAKFGGQW-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
CID 109007110
methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 9083030
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
2-(4-acetylanilino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 26416052
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
methyl 4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoate
CID 108995150
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate (CID 109009875) is methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate?
The InChIKey is IOAJBDHAKFGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-11(22)12-3-6-14(7-4-12)20-10-17(23)21-16-9-13(18(24)25-2)5-8-15(16)19/h3-9,20H,10H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate?
methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate has a molecular weight of 360.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 109009875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).