methyl 2-chloro-5-(phenylcarbamoylamino)benzoate

C15H13ClN2O3 — CID 967098

IUPACmethyl 2-chloro-5-(phenylcarbamoylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-21-14(19)12-9-11(7-8-13(12)16)18-15(20)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,20)
InChIKeyHIMGUEXJDNLWDN-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-chloro-5-(phenylcarbamoylamino)benzoate

methyl 2-chloro-5-(phenylcarbamoylamino)benzoate (PubChem CID 967098) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl 2-chloro-5-(phenylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(phenylcarbamoylamino)benzoate
PubChem CID967098
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Namemethyl 2-chloro-5-(phenylcarbamoylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C15H13ClN2O3/c1-21-14(19)12-9-11(7-8-13(12)16)18-15(20)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,20)
InChIKeyHIMGUEXJDNLWDN-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(phenylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-chloro-5-(phenylcarbamoylamino)benzoate (CID 967098) is methyl 2-chloro-5-(phenylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(phenylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-chloro-5-(phenylcarbamoylamino)benzoate is COC(=O)c1cc(NC(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(phenylcarbamoylamino)benzoate?
The InChIKey is HIMGUEXJDNLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-14(19)12-9-11(7-8-13(12)16)18-15(20)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,20).
What are the key properties of methyl 2-chloro-5-(phenylcarbamoylamino)benzoate?
methyl 2-chloro-5-(phenylcarbamoylamino)benzoate has a molecular weight of 304.73 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(phenylcarbamoylamino)benzoate is sourced from PubChem (CID 967098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).