2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide

C16H19FN2O — CID 810032

IUPAC2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccn1C)C(=O)c1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-12(2)19(11-13-7-6-10-18(13)3)16(20)14-8-4-5-9-15(14)17/h4-10,12H,11H2,1-3H3
InChIKeyYSNQVDZBGGNGOK-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.21
Rot. Bonds4

About 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide

2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 810032) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID810032
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccn1C)C(=O)c1ccccc1F
InChIInChI=1S/C16H19FN2O/c1-12(2)19(11-13-7-6-10-18(13)3)16(20)14-8-4-5-9-15(14)17/h4-10,12H,11H2,1-3H3
InChIKeyYSNQVDZBGGNGOK-UHFFFAOYSA-N
XLogP3.21
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759824
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
1-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 42760075
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
2-[(2-fluorophenyl)carbamoyl-propan-2-ylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3900518
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-propan-2-ylbenzamide
CID 5004292
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-fluoro-N-propan-2-ylbenzamide
CID 4307810
N-cyclopropyl-2-[(2-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057244
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-fluoro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7271486
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4033820
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide
CID 1057094

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide (CID 810032) is 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1cccn1C)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is YSNQVDZBGGNGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12(2)19(11-13-7-6-10-18(13)3)16(20)14-8-4-5-9-15(14)17/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 274.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 810032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).