N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide

C14H13F3N2O — CID 110789374

IUPACN-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-8-6-10-5-7-18-9-10/h1-5,7,9,18H,6,8H2,(H,19,20)
InChIKeyALASGAXKQHCCGL-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110789374) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110789374
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-8-6-10-5-7-18-9-10/h1-5,7,9,18H,6,8H2,(H,19,20)
InChIKeyALASGAXKQHCCGL-UHFFFAOYSA-N
XLogP3.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 20533940
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194
N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110789365
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 86613992
3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 110789338
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 110789374) is N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCc1cc[nH]c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ALASGAXKQHCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-8-6-10-5-7-18-9-10/h1-5,7,9,18H,6,8H2,(H,19,20).
What are the key properties of N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 282.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110789374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).