(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate

C17H16ClNO3 — CID 110670302

IUPAC(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c1-12-5-2-3-8-15(12)22-17(21)11-19-16(20)10-13-6-4-7-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyGJVHESUWEKUJNB-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.91
Rot. Bonds5

About (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate

(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate (PubChem CID 110670302) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate
PubChem CID110670302
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate
SMILESCc1ccccc1OC(=O)CNC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c1-12-5-2-3-8-15(12)22-17(21)11-19-16(20)10-13-6-4-7-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyGJVHESUWEKUJNB-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
(2-methylphenyl) 2-(propanoylamino)acetate
CID 110670244
(2-methylphenyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 110670281
2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133199387
(4-chloro-2-methylphenyl) 3-[(2-phenylacetyl)amino]propanoate
CID 43038692
1-O-(3-chlorophenyl) 5-O-(2-methylphenyl) pentanedioate
CID 91733443
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826717

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate?
The IUPAC name of (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate (CID 110670302) is (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate.
What is the SMILES notation for (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate?
The canonical SMILES for (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate is Cc1ccccc1OC(=O)CNC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate?
The InChIKey is GJVHESUWEKUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12-5-2-3-8-15(12)22-17(21)11-19-16(20)10-13-6-4-7-14(18)9-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate?
(2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate has a molecular weight of 317.77 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2-[[2-(3-chlorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 110670302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).