N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene

C20H16F3NO3 — CID 88607417

IUPACN-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
SMILESCOc1ccc2ccccc2c1C(F)(F)F.O=CNC(=O)c1ccccc1
InChIInChI=1S/C12H9F3O.C8H7NO2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15;10-6-9-8(11)7-4-2-1-3-5-7/h2-7H,1H3;1-6H,(H,9,10,11)
InChIKeyZLMVOIFTITXNLM-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.44
Rot. Bonds3

About N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene

N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene (PubChem CID 88607417) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene.

Molecular Properties

Compound NameN-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
PubChem CID88607417
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC NameN-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
SMILESCOc1ccc2ccccc2c1C(F)(F)F.O=CNC(=O)c1ccccc1
InChIInChI=1S/C12H9F3O.C8H7NO2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15;10-6-9-8(11)7-4-2-1-3-5-7/h2-7H,1H3;1-6H,(H,9,10,11)
InChIKeyZLMVOIFTITXNLM-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621620
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
2-[formyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621618
2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid
CID 19696994
[1,3-diamino-2-(2-methoxynaphthalen-1-yl)-1,3-dioxopropan-2-yl] acetate
CID 14907783
2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 146007268
2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
CID 66808022
3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-yn-1-one
CID 102165233
[2-(methylamino)acetyl] 6-methoxy-2-phenoxy-5-(trifluoromethyl)naphthalene-1-carboxylate
CID 23056911

Frequently Asked Questions

What is the IUPAC name of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
The IUPAC name of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene (CID 88607417) is N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene.
What is the SMILES notation for N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
The canonical SMILES for N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene is COc1ccc2ccccc2c1C(F)(F)F.O=CNC(=O)c1ccccc1.
What is the InChIKey of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
The InChIKey is ZLMVOIFTITXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O.C8H7NO2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15;10-6-9-8(11)7-4-2-1-3-5-7/h2-7H,1H3;1-6H,(H,9,10,11).
What are the key properties of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene has a molecular weight of 375.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene is sourced from PubChem (CID 88607417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).