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

C17H14F3NO5 — CID 14621619

IUPAC2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(C(=O)N(CC(=O)O)C(C)=O)cccc2c1C(F)(F)F
InChIInChI=1S/C17H14F3NO5/c1-9(22)21(8-14(23)24)16(25)12-5-3-4-11-10(12)6-7-13(26-2)15(11)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,24)
InChIKeyUOMHPGDWHPZLIW-UHFFFAOYSA-N
MW369.30 g/mol
LogP2.94
Rot. Bonds4

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

2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid (PubChem CID 14621619) has the molecular formula C17H14F3NO5 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
PubChem CID14621619
Molecular FormulaC17H14F3NO5
Molecular Weight369.30 g/mol
Exact Mass369.08
IUPAC Name2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(C(=O)N(CC(=O)O)C(C)=O)cccc2c1C(F)(F)F
InChIInChI=1S/C17H14F3NO5/c1-9(22)21(8-14(23)24)16(25)12-5-3-4-11-10(12)6-7-13(26-2)15(11)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,24)
InChIKeyUOMHPGDWHPZLIW-UHFFFAOYSA-N
XLogP2.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl-[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

2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621620
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
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
2-[tert-butyl-(2-hydroxy-3-methoxybenzoyl)amino]acetic acid
CID 79266531
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
CID 23056911
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
2-[(2,3-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79277898
1-[2-bromo-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171008290
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid (CID 14621619) is 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid is COc1ccc2c(C(=O)N(CC(=O)O)C(C)=O)cccc2c1C(F)(F)F.
What is the InChIKey of 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The InChIKey is UOMHPGDWHPZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO5/c1-9(22)21(8-14(23)24)16(25)12-5-3-4-11-10(12)6-7-13(26-2)15(11)17(18,19)20/h3-7H,8H2,1-2H3,(H,23,24).
What are the key properties of 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid has a molecular weight of 369.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 14621619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).