N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide

C20H15F3N2O2 — CID 1057508

IUPACN-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)14-8-10-15(11-9-14)25-18(26)12-24-19(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyWCNVOFKRPOTACI-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.23
Rot. Bonds4

About N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide

N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide (PubChem CID 1057508) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
PubChem CID1057508
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC NameN-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
SMILESO=C(CNC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)14-8-10-15(11-9-14)25-18(26)12-24-19(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,27)(H,25,26)
InChIKeyWCNVOFKRPOTACI-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] naphthalene-1-carboxylate
CID 2344876
N-[2-(3-fluoroanilino)-2-oxoethyl]naphthalene-1-carboxamide
CID 42765993
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide (CID 1057508) is N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide is O=C(CNC(=O)c1cccc2ccccc12)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide?
The InChIKey is WCNVOFKRPOTACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)14-8-10-15(11-9-14)25-18(26)12-24-19(27)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide?
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1057508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).