4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide

C14H12F4N2O — CID 103721975

IUPAC4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCn1ccc(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F4N2O/c1-20-5-4-9(8-20)7-19-13(21)10-2-3-12(15)11(6-10)14(16,17)18/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyDVHJZXSCLQTYFC-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.11
Rot. Bonds3

About 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 103721975) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID103721975
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCn1ccc(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F4N2O/c1-20-5-4-9(8-20)7-19-13(21)10-2-3-12(15)11(6-10)14(16,17)18/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyDVHJZXSCLQTYFC-UHFFFAOYSA-N
XLogP3.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
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4-fluoro-3-[(1-methylpyrrol-3-yl)methylamino]benzoic acid
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4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzamide
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4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
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4-fluoro-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 95314936
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014
4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide (CID 103721975) is 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide is Cn1ccc(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DVHJZXSCLQTYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-20-5-4-9(8-20)7-19-13(21)10-2-3-12(15)11(6-10)14(16,17)18/h2-6,8H,7H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 300.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103721975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).