2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide

C12H10F2N2O — CID 110468489

IUPAC2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc[nH]1)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-7-8-3-2-6-15-8/h1-6,15H,7H2,(H,16,17)
InChIKeyGQVILDITQJNTHJ-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.22
Rot. Bonds3

About 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide

2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide (PubChem CID 110468489) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
PubChem CID110468489
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc[nH]1)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-7-8-3-2-6-15-8/h1-6,15H,7H2,(H,16,17)
InChIKeyGQVILDITQJNTHJ-UHFFFAOYSA-N
XLogP2.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
CID 110440178
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110488062
N-(1H-pyrrol-2-ylmethyl)furan-2-carboxamide
CID 110374911
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
CID 110468689
1-[1-(2-fluorophenyl)cyclopropyl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469652
1-[2-(2-fluorophenyl)propan-2-yl]-3-(1H-pyrrol-2-ylmethyl)urea
CID 110469820
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide (CID 110468489) is 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide is O=C(NCc1ccc[nH]1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
The InChIKey is GQVILDITQJNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-9-4-1-5-10(14)11(9)12(17)16-7-8-3-2-6-15-8/h1-6,15H,7H2,(H,16,17).
What are the key properties of 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide has a molecular weight of 236.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide is sourced from PubChem (CID 110468489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).