4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide

C13H11BrF2N2O2 — CID 30462324

IUPAC4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cc(Br)c[nH]1
InChIInChI=1S/C13H11BrF2N2O2/c14-9-5-10(17-7-9)12(19)18-6-8-3-1-2-4-11(8)20-13(15)16/h1-5,7,13,17H,6H2,(H,18,19)
InChIKeyHDZFDFYCLTWSOI-UHFFFAOYSA-N
MW345.14 g/mol
LogP3.31
Rot. Bonds5

About 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 30462324) has the molecular formula C13H11BrF2N2O2 and a molecular weight of 345.14 g/mol. Its IUPAC name is 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID30462324
Molecular FormulaC13H11BrF2N2O2
Molecular Weight345.14 g/mol
Exact Mass344.00
IUPAC Name4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cc(Br)c[nH]1
InChIInChI=1S/C13H11BrF2N2O2/c14-9-5-10(17-7-9)12(19)18-6-8-3-1-2-4-11(8)20-13(15)16/h1-5,7,13,17H,6H2,(H,18,19)
InChIKeyHDZFDFYCLTWSOI-UHFFFAOYSA-N
XLogP3.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318040
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 38756441
5-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24611724
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
1-[(5-bromothiophene-2-carbonyl)amino]-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 78834052
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 3510893
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 30462324) is 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccccc1OC(F)F)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HDZFDFYCLTWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2/c14-9-5-10(17-7-9)12(19)18-6-8-3-1-2-4-11(8)20-13(15)16/h1-5,7,13,17H,6H2,(H,18,19).
What are the key properties of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 345.14 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 30462324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).