N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide

C20H14F6N2O — CID 139919973

IUPACN-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
SMILESO=C(Cc1c[nH]cc1C(F)(F)F)Nc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F6N2O/c21-19(22,23)14-5-3-4-12(8-14)15-6-1-2-7-17(15)28-18(29)9-13-10-27-11-16(13)20(24,25)26/h1-8,10-11,27H,9H2,(H,28,29)
InChIKeyHQEZJYZCMOFENA-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.90
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide

N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide (PubChem CID 139919973) has the molecular formula C20H14F6N2O and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
PubChem CID139919973
Molecular FormulaC20H14F6N2O
Molecular Weight412.33 g/mol
Exact Mass412.10
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
SMILESO=C(Cc1c[nH]cc1C(F)(F)F)Nc1ccccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F6N2O/c21-19(22,23)14-5-3-4-12(8-14)15-6-1-2-7-17(15)28-18(29)9-13-10-27-11-16(13)20(24,25)26/h1-8,10-11,27H,9H2,(H,28,29)
InChIKeyHQEZJYZCMOFENA-UHFFFAOYSA-N
XLogP5.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
N-(2-phenylphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697368
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29142790
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119440376
3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
CID 67742586
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119440375
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90626295
N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 22622779
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide (CID 139919973) is N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide is O=C(Cc1c[nH]cc1C(F)(F)F)Nc1ccccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide?
The InChIKey is HQEZJYZCMOFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O/c21-19(22,23)14-5-3-4-12(8-14)15-6-1-2-7-17(15)28-18(29)9-13-10-27-11-16(13)20(24,25)26/h1-8,10-11,27H,9H2,(H,28,29).
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide?
N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide has a molecular weight of 412.33 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide is sourced from PubChem (CID 139919973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).