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'}

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Related Compounds

2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621619
2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621618
2-[[(Z)-N-(4-bromophenyl)sulfonyl-C-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonimidoyl]-methylamino]acetic acid
CID 14720645
2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide
CID 88511771
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
CID 23039198
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
CID 23056911
methyl 2-[benzoyl(2,2,3,3,3-pentafluoropropanoyl)amino]acetate
CID 569393
4,4,4-trifluoro-3-(4-methoxynaphthalen-1-yl)but-2-enoic acid
CID 56993701
2-[(2,3-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79277898

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).