methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate

C22H19NO4 — CID 127046856

IUPACmethyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO4/c1-26-20-13-12-18(22(25)27-2)14-19(20)23-21(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24)
InChIKeyUZZKUGGLZWAUGZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.40
Rot. Bonds5

About methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate

methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate (PubChem CID 127046856) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate
PubChem CID127046856
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO4/c1-26-20-13-12-18(22(25)27-2)14-19(20)23-21(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24)
InChIKeyUZZKUGGLZWAUGZ-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate (CID 127046856) is methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate is COC(=O)c1ccc(OC)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate?
The InChIKey is UZZKUGGLZWAUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-20-13-12-18(22(25)27-2)14-19(20)23-21(24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24).
What are the key properties of methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate?
methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[(4-phenylbenzoyl)amino]benzoate is sourced from PubChem (CID 127046856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).