4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide

C21H17F3N2O3 — CID 112815041

IUPAC4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H17F3N2O3/c1-29-18-11-10-17(15-4-2-3-5-16(15)18)20(28)26-14-8-6-13(7-9-14)19(27)25-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyNXTOJCFSLYKWHT-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.39
Rot. Bonds5

About 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide

4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 112815041) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID112815041
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C21H17F3N2O3/c1-29-18-11-10-17(15-4-2-3-5-16(15)18)20(28)26-14-8-6-13(7-9-14)19(27)25-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,27)(H,26,28)
InChIKeyNXTOJCFSLYKWHT-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
3-chloro-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 46585187
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
N-(3-fluorophenyl)-4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]naphthalene-1-carboxamide
CID 11430075
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 119290874
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596085

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 112815041) is 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide is COc1ccc(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is NXTOJCFSLYKWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-29-18-11-10-17(15-4-2-3-5-16(15)18)20(28)26-14-8-6-13(7-9-14)19(27)25-12-21(22,23)24/h2-11H,12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 112815041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).