methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate

C16H14ClNO3 — CID 892498

IUPACmethyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-21-15(19)10-11-6-8-12(9-7-11)18-16(20)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyVYAMUSBKDOZIMX-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.31
Rot. Bonds4

About methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate

methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate (PubChem CID 892498) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate
PubChem CID892498
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Namemethyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-21-15(19)10-11-6-8-12(9-7-11)18-16(20)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyVYAMUSBKDOZIMX-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate (CID 892498) is methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate?
The InChIKey is VYAMUSBKDOZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-15(19)10-11-6-8-12(9-7-11)18-16(20)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate?
methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate has a molecular weight of 303.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-chlorobenzoyl)amino]phenyl]acetate is sourced from PubChem (CID 892498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).