methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate

C19H19ClN2O4 — CID 113172297

IUPACmethyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-12-4-9-16(10-17(12)20)22(13(2)23)11-18(24)21-15-7-5-14(6-8-15)19(25)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyLLAGZHYGAYBZPY-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.43
Rot. Bonds5

About methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate

methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate (PubChem CID 113172297) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
PubChem CID113172297
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Namemethyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClN2O4/c1-12-4-9-16(10-17(12)20)22(13(2)23)11-18(24)21-15-7-5-14(6-8-15)19(25)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyLLAGZHYGAYBZPY-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
methyl 4-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176421
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113168356
methyl 4-[acetyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176448
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
methyl 3-[acetyl-[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 113176290
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
CID 113128077
methyl 3-[acetyl-[2-(4-methylanilino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176551
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172270

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate (CID 113172297) is methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate?
The InChIKey is LLAGZHYGAYBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-12-4-9-16(10-17(12)20)22(13(2)23)11-18(24)21-15-7-5-14(6-8-15)19(25)26-3/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate?
methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(N-acetyl-3-chloro-4-methylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 113172297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).