methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate

C16H15ClN2O3 — CID 109007110

IUPACmethyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNc2ccccc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-22-16(21)11-7-8-13(17)14(9-11)19-15(20)10-18-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyLEVAVLPULBIOHX-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.18
Rot. Bonds5

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

methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate (PubChem CID 109007110) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
PubChem CID109007110
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Namemethyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CNc2ccccc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-22-16(21)11-7-8-13(17)14(9-11)19-15(20)10-18-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)
InChIKeyLEVAVLPULBIOHX-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-acetylanilino)acetyl]amino]-4-chlorobenzoate
CID 109009875
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
methyl 4-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 9083030
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
methyl 4-chloro-3-[[2-(2,6-difluoroanilino)acetyl]amino]benzoate
CID 109010264
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296
methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
CID 112999994
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate (CID 109007110) is methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC(=O)CNc2ccccc2)c1.
What is the InChIKey of methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate?
The InChIKey is LEVAVLPULBIOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-22-16(21)11-7-8-13(17)14(9-11)19-15(20)10-18-12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20).
What are the key properties of methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate?
methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate has a molecular weight of 318.76 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-anilinoacetyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 109007110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).