N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

C14H13BrF2N2O — CID 114609318

IUPACN-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cccn2CC(F)F)c1
InChIInChI=1S/C14H13BrF2N2O/c1-9-4-5-10(15)11(7-9)18-14(20)12-3-2-6-19(12)8-13(16)17/h2-7,13H,8H2,1H3,(H,18,20)
InChIKeyCDONBDGUFPWTRF-UHFFFAOYSA-N
MW343.17 g/mol
LogP4.08
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609318) has the molecular formula C14H13BrF2N2O and a molecular weight of 343.17 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
PubChem CID114609318
Molecular FormulaC14H13BrF2N2O
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC NameN-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cccn2CC(F)F)c1
InChIInChI=1S/C14H13BrF2N2O/c1-9-4-5-10(15)11(7-9)18-14(20)12-3-2-6-19(12)8-13(16)17/h2-7,13H,8H2,1H3,(H,18,20)
InChIKeyCDONBDGUFPWTRF-UHFFFAOYSA-N
XLogP4.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609297
N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609230
N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609290
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710
methyl 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate
CID 114610707
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
(2R)-2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104939949
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608880

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (CID 114609318) is N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is Cc1ccc(Br)c(NC(=O)c2cccn2CC(F)F)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The InChIKey is CDONBDGUFPWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O/c1-9-4-5-10(15)11(7-9)18-14(20)12-3-2-6-19(12)8-13(16)17/h2-7,13H,8H2,1H3,(H,18,20).
What are the key properties of N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide has a molecular weight of 343.17 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).