3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide

C12H10F2N2O — CID 110445664

IUPAC3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-10-4-3-8(6-11(10)14)12(17)16-7-9-2-1-5-15-9/h1-6,15H,7H2,(H,16,17)
InChIKeyFPNSGLVWGVLVPL-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.22
Rot. Bonds3

About 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide

3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide (PubChem CID 110445664) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
PubChem CID110445664
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc[nH]1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-10-4-3-8(6-11(10)14)12(17)16-7-9-2-1-5-15-9/h1-6,15H,7H2,(H,16,17)
InChIKeyFPNSGLVWGVLVPL-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

2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
N-benzyl-3,4-difluorobenzamide
CID 1294460
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110464679
N-[[3-(chloromethyl)phenyl]methyl]-3,4-difluorobenzamide
CID 114302295
3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110486697
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-(1H-pyrrol-2-ylmethyl)furan-2-carboxamide
CID 110374911
N-(1H-pyrrol-2-ylmethyl)thiophene-2-carboxamide
CID 71684218

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide (CID 110445664) is 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide is O=C(NCc1ccc[nH]1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
The InChIKey is FPNSGLVWGVLVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-10-4-3-8(6-11(10)14)12(17)16-7-9-2-1-5-15-9/h1-6,15H,7H2,(H,16,17).
What are the key properties of 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide?
3,4-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 3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide is sourced from PubChem (CID 110445664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).