5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid

C19H20N2O4 — CID 50807484

IUPAC5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C19H20N2O4/c1-13-4-2-3-5-15(13)18(22)20-14-6-7-17(16(12-14)19(23)24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyJJHXFQNNWAEXAA-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.78
Rot. Bonds4

About 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid

5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid (PubChem CID 50807484) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
PubChem CID50807484
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C19H20N2O4/c1-13-4-2-3-5-15(13)18(22)20-14-6-7-17(16(12-14)19(23)24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24)
InChIKeyJJHXFQNNWAEXAA-UHFFFAOYSA-N
XLogP2.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060507
5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807443
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 50807438
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060590
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806
3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid?
The IUPAC name of 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid (CID 50807484) is 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid?
The canonical SMILES for 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid is Cc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid?
The InChIKey is JJHXFQNNWAEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-4-2-3-5-15(13)18(22)20-14-6-7-17(16(12-14)19(23)24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid?
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 50807484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).