N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C18H12F3NO — CID 1278699

IUPACN-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C18H12F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,22,23)
InChIKeyUQUWXFCAYOJFLQ-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.11
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 1278699) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID1278699
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C18H12F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,22,23)
InChIKeyUQUWXFCAYOJFLQ-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455780
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-methyl-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 110701097
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 1278699) is N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is UQUWXFCAYOJFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c19-18(20,21)15-10-3-4-11-16(15)22-17(23)14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,22,23).
What are the key properties of N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 315.29 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1278699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).