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

C16H12F3NO5 — CID 14621618

IUPAC2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(C(=O)N(C=O)CC(=O)O)cccc2c1C(F)(F)F
InChIInChI=1S/C16H12F3NO5/c1-25-12-6-5-9-10(14(12)16(17,18)19)3-2-4-11(9)15(24)20(8-21)7-13(22)23/h2-6,8H,7H2,1H3,(H,22,23)
InChIKeyYXOUXBPBANJWMR-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.55
Rot. Bonds5

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

2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid (PubChem CID 14621618) has the molecular formula C16H12F3NO5 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
PubChem CID14621618
Molecular FormulaC16H12F3NO5
Molecular Weight355.27 g/mol
Exact Mass355.07
IUPAC Name2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
SMILESCOc1ccc2c(C(=O)N(C=O)CC(=O)O)cccc2c1C(F)(F)F
InChIInChI=1S/C16H12F3NO5/c1-25-12-6-5-9-10(14(12)16(17,18)19)3-2-4-11(9)15(24)20(8-21)7-13(22)23/h2-6,8H,7H2,1H3,(H,22,23)
InChIKeyYXOUXBPBANJWMR-UHFFFAOYSA-N
XLogP2.55
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621619
2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621620
2-[[2-[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-sulfanylideneethyl]amino]acetamide
CID 88511771
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
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
1-[3-methoxy-2-(trifluoromethyl)phenyl]propan-1-one
CID 134627051
2-[(2,3-dimethoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79277898
4,4,4-trifluoro-3-(4-methoxynaphthalen-1-yl)but-2-enoic acid
CID 56993701
[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
CID 23056911
3-methoxy-2-(trifluoromethyl)benzaldehyde
CID 73012639
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid (CID 14621618) is 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid is COc1ccc2c(C(=O)N(C=O)CC(=O)O)cccc2c1C(F)(F)F.
What is the InChIKey of 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
The InChIKey is YXOUXBPBANJWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO5/c1-25-12-6-5-9-10(14(12)16(17,18)19)3-2-4-11(9)15(24)20(8-21)7-13(22)23/h2-6,8H,7H2,1H3,(H,22,23).
What are the key properties of 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid?
2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid has a molecular weight of 355.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 14621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).