2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide

C13H11F3N2O2 — CID 3235904

IUPAC2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1cccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-11-5-3-10(4-6-11)17-12(19)9-18-7-1-2-8-18/h1-8H,9H2,(H,17,19)
InChIKeyBVAYYMPCJWXVQO-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.03
Rot. Bonds4

About 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 3235904) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID3235904
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1cccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-11-5-3-10(4-6-11)17-12(19)9-18-7-1-2-8-18/h1-8H,9H2,(H,17,19)
InChIKeyBVAYYMPCJWXVQO-UHFFFAOYSA-N
XLogP3.03
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 1448426
1-(4-Methoxyphenyl)-1H-pyrrole
CID 272427
(4S)-4-amino-N-(4-phenoxyphenyl)-5-(1H-pyrrol-1-yl)pentanamide
CID 24901642
1-[3-(4-Acetamidophenoxy)propyl]pyridin-1-ium chloride
CID 16188723
N-[4-(difluoromethoxy)phenyl]-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide chloride
CID 16241978
4-(1H-pyrrol-1-yl)-N-(4-(trifluoromethoxy)phenyl)piperidine-1-carboxamide
CID 24744859
N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide
CID 3236864
N-(4-ethoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3240577
N-(2,5-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
CID 3244489
N-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3245733
4-Dimethylamino-1-[(4-ethoxy-phenylcarbamoyl)-methyl]-pyridinium
CID 12004718
4-(Dimethylamino)-1-{[(4-phenoxyphenyl)carbamoyl]methyl}pyridin-1-ium chloride
CID 16193005

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 3235904) is 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1cccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is BVAYYMPCJWXVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)20-11-5-3-10(4-6-11)17-12(19)9-18-7-1-2-8-18/h1-8H,9H2,(H,17,19).
What are the key properties of 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 284.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 3235904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).