(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate

C16H15ClN2O4 — CID 110671034

IUPAC(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-22-13-4-2-3-5-14(13)23-15(20)10-18-16(21)19-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeyOPNGKTKBFILIHT-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.08
Rot. Bonds5

About (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate

(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate (PubChem CID 110671034) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
PubChem CID110671034
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O4/c1-22-13-4-2-3-5-14(13)23-15(20)10-18-16(21)19-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H2,18,19,21)
InChIKeyOPNGKTKBFILIHT-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110191719
(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
CID 110671038
(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
CID 110671040
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 110446815
(2-methoxyphenyl) 2-[(4-chlorophenyl)methylsulfonylamino]acetate
CID 110671021
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110446818
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate (CID 110671034) is (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate is COc1ccccc1OC(=O)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate?
The InChIKey is OPNGKTKBFILIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-13-4-2-3-5-14(13)23-15(20)10-18-16(21)19-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H2,18,19,21).
What are the key properties of (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate?
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate has a molecular weight of 334.76 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate is sourced from PubChem (CID 110671034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).