2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide

C28H21F3N4O — CID 134231329

IUPAC2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(-n2cc(C(F)(F)F)nc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C28H21F3N4O/c29-28(30,31)25-18-35(27(34-25)24-12-6-8-19-7-4-5-11-23(19)24)22-15-13-21(14-16-22)33-26(36)17-32-20-9-2-1-3-10-20/h1-16,18,32H,17H2,(H,33,36)
InChIKeyNFGFVJBBZBYUNZ-UHFFFAOYSA-N
MW486.50 g/mol
LogP6.76
Rot. Bonds6

About 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide

2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide (PubChem CID 134231329) has the molecular formula C28H21F3N4O and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide
PubChem CID134231329
Molecular FormulaC28H21F3N4O
Molecular Weight486.50 g/mol
Exact Mass486.17
IUPAC Name2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide
SMILESO=C(CNc1ccccc1)Nc1ccc(-n2cc(C(F)(F)F)nc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C28H21F3N4O/c29-28(30,31)25-18-35(27(34-25)24-12-6-8-19-7-4-5-11-23(19)24)22-15-13-21(14-16-22)33-26(36)17-32-20-9-2-1-3-10-20/h1-16,18,32H,17H2,(H,33,36)
InChIKeyNFGFVJBBZBYUNZ-UHFFFAOYSA-N
XLogP6.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-[2-phenanthren-2-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide
CID 134231263
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]naphthalene-1-carboxamide
CID 1057508
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-anilino-N-(4-pyridin-4-ylphenyl)acetamide
CID 15981382
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide (CID 134231329) is 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide is O=C(CNc1ccccc1)Nc1ccc(-n2cc(C(F)(F)F)nc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide?
The InChIKey is NFGFVJBBZBYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O/c29-28(30,31)25-18-35(27(34-25)24-12-6-8-19-7-4-5-11-23(19)24)22-15-13-21(14-16-22)33-26(36)17-32-20-9-2-1-3-10-20/h1-16,18,32H,17H2,(H,33,36).
What are the key properties of 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide?
2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide has a molecular weight of 486.50 g/mol, XLogP of 6.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-[2-naphthalen-1-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 134231329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).