2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid

C22H16F3NO5 — CID 14621620

IUPAC2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(C(=O)N(CC(=O)O)C(=O)c3ccccc3)cccc2c1C(F)(F)F
InChIInChI=1S/C22H16F3NO5/c1-31-17-11-10-14-15(19(17)22(23,24)25)8-5-9-16(14)21(30)26(12-18(27)28)20(29)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,27,28)
InChIKeySANJKDJNMDFMPI-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.23
Rot. Bonds5

About 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid

2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid (PubChem CID 14621620) has the molecular formula C22H16F3NO5 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
PubChem CID14621620
Molecular FormulaC22H16F3NO5
Molecular Weight431.37 g/mol
Exact Mass431.10
IUPAC Name2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(C(=O)N(CC(=O)O)C(=O)c3ccccc3)cccc2c1C(F)(F)F
InChIInChI=1S/C22H16F3NO5/c1-31-17-11-10-14-15(19(17)22(23,24)25)8-5-9-16(14)21(30)26(12-18(27)28)20(29)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,27,28)
InChIKeySANJKDJNMDFMPI-UHFFFAOYSA-N
XLogP4.23
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 155214091
CID 155214091
CID 3071639
CID 3071639
CID 155526437
CID 155526437
CID 2711799
CID 2711799
CID 16227018
CID 16227018
CID 25161591
CID 25161591
CID 129764
CID 129764
CID 10503860
CID 10503860
CID 11328910
CID 11328910
CID 44159058
CID 44159058
CID 44159530
CID 44159530
CID 44451820
CID 44451820

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid (CID 14621620) is 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid is COc1ccc2c(C(=O)N(CC(=O)O)C(=O)c3ccccc3)cccc2c1C(F)(F)F.
What is the InChIKey of 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The InChIKey is SANJKDJNMDFMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO5/c1-31-17-11-10-14-15(19(17)22(23,24)25)8-5-9-16(14)21(30)26(12-18(27)28)20(29)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,27,28).
What are the key properties of 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid has a molecular weight of 431.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 14621620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).