4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

C20H16F3N3O2 — CID 108933756

IUPAC4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)25-16-7-3-14(4-8-16)13-24-18(27)15-5-9-17(10-6-15)26-11-1-2-12-26/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyZRDPZSOAMVAXNT-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.91
Rot. Bonds5

About 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (PubChem CID 108933756) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
PubChem CID108933756
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)25-16-7-3-14(4-8-16)13-24-18(27)15-5-9-17(10-6-15)26-11-1-2-12-26/h1-12H,13H2,(H,24,27)(H,25,28)
InChIKeyZRDPZSOAMVAXNT-UHFFFAOYSA-N
XLogP3.91
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 46915048
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
2-iodo-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933632
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
CID 108933635
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (CID 108933756) is 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is ZRDPZSOAMVAXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)19(28)25-16-7-3-14(4-8-16)13-24-18(27)15-5-9-17(10-6-15)26-11-1-2-12-26/h1-12H,13H2,(H,24,27)(H,25,28).
What are the key properties of 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 387.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 108933756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).