N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide

C19H12F6N2O2 — CID 10319590

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(29)15-10-14(3-4-16(15)28)27-5-1-2-6-27/h1-10,28H,(H,26,29)
InChIKeyMLSHOVOUZVUGJR-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.47
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide (PubChem CID 10319590) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide
PubChem CID10319590
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(29)15-10-14(3-4-16(15)28)27-5-1-2-6-27/h1-10,28H,(H,26,29)
InChIKeyMLSHOVOUZVUGJR-UHFFFAOYSA-N
XLogP5.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-5-(1H-pyrrol-1-yl)benzoic acid
CID 853752
2-hydroxy-N-(pyridin-3-yl)benzamide
CID 578240
(1-(3,5-difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl)phenylmethanone
CID 10424810
2-hydroxy-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)benzamide
CID 10455135
5-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710418
2-(5-Acetamido-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567040
5-(2,5-Dihydroxy-benzylamino)-2-hydroxy-N-(2-pyridin-2-yl-ethyl)-benzamide
CID 10499929
2-[2-Hydroxy-5-[(3-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
CID 136053701
2-[2-Hydroxy-5-[(2-phenylacetyl)amino]phenyl]pyridine-4-carboxylic acid
CID 136053702
2-hydroxy-5-[4-(3-methylphenyl)triazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710476
5-[4-(3-acetamidophenyl)triazol-1-yl]-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118710481
2-hydroxy-N-(pyridin-4-yl)benzamide
CID 578630

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide (CID 10319590) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-n2cccc2)ccc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide?
The InChIKey is MLSHOVOUZVUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(29)15-10-14(3-4-16(15)28)27-5-1-2-6-27/h1-10,28H,(H,26,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide has a molecular weight of 414.31 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylbenzamide is sourced from PubChem (CID 10319590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).