N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C12H9F3N2O — CID 110691166

IUPACN-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc[nH]c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)9-2-1-3-10(6-9)17-11(18)8-4-5-16-7-8/h1-7,16H,(H,17,18)
InChIKeyRETSDEOKMMPVIZ-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.29
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 110691166) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID110691166
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc[nH]c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)9-2-1-3-10(6-9)17-11(18)8-4-5-16-7-8/h1-7,16H,(H,17,18)
InChIKeyRETSDEOKMMPVIZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 110691166) is N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc[nH]c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is RETSDEOKMMPVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)9-2-1-3-10(6-9)17-11(18)8-4-5-16-7-8/h1-7,16H,(H,17,18).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 254.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110691166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).