methyl 2-(2-acetamido-5-chloroanilino)acetate

C11H13ClN2O3 — CID 60603139

IUPACmethyl 2-(2-acetamido-5-chloroanilino)acetate
SMILESCOC(=O)CNc1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C11H13ClN2O3/c1-7(15)14-9-4-3-8(12)5-10(9)13-6-11(16)17-2/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyZSVCBLTUUDPJIZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-(2-acetamido-5-chloroanilino)acetate

methyl 2-(2-acetamido-5-chloroanilino)acetate (PubChem CID 60603139) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 2-(2-acetamido-5-chloroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-acetamido-5-chloroanilino)acetate
PubChem CID60603139
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 2-(2-acetamido-5-chloroanilino)acetate
SMILESCOC(=O)CNc1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C11H13ClN2O3/c1-7(15)14-9-4-3-8(12)5-10(9)13-6-11(16)17-2/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyZSVCBLTUUDPJIZ-UHFFFAOYSA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
methyl 2-[5-chloro-2-(ethylcarbamoyl)anilino]acetate
CID 47064206
N-[4-chloro-2-(5-hydroxypentylamino)phenyl]acetamide
CID 111770376
2-(2-acetamido-5-chloroanilino)-N-(propylcarbamoyl)acetamide
CID 60602911
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
methyl 2-[[(R)-(2-acetamido-5-chlorophenyl)-phenylmethyl]amino]acetate
CID 788320
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamido-5-chloroanilino)acetate?
The IUPAC name of methyl 2-(2-acetamido-5-chloroanilino)acetate (CID 60603139) is methyl 2-(2-acetamido-5-chloroanilino)acetate.
What is the SMILES notation for methyl 2-(2-acetamido-5-chloroanilino)acetate?
The canonical SMILES for methyl 2-(2-acetamido-5-chloroanilino)acetate is COC(=O)CNc1cc(Cl)ccc1NC(C)=O.
What is the InChIKey of methyl 2-(2-acetamido-5-chloroanilino)acetate?
The InChIKey is ZSVCBLTUUDPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(15)14-9-4-3-8(12)5-10(9)13-6-11(16)17-2/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(2-acetamido-5-chloroanilino)acetate?
methyl 2-(2-acetamido-5-chloroanilino)acetate has a molecular weight of 256.69 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamido-5-chloroanilino)acetate is sourced from PubChem (CID 60603139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).