N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

C13H10BrClF2N2O — CID 114609290

IUPACN-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Br)c1)c1cccn1CC(F)F
InChIInChI=1S/C13H10BrClF2N2O/c14-9-6-8(3-4-10(9)15)18-13(20)11-2-1-5-19(11)7-12(16)17/h1-6,12H,7H2,(H,18,20)
InChIKeyIDOWHGJQTBYQPV-UHFFFAOYSA-N
MW363.59 g/mol
LogP4.42
Rot. Bonds4

About N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609290) has the molecular formula C13H10BrClF2N2O and a molecular weight of 363.59 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
PubChem CID114609290
Molecular FormulaC13H10BrClF2N2O
Molecular Weight363.59 g/mol
Exact Mass361.96
IUPAC NameN-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Br)c1)c1cccn1CC(F)F
InChIInChI=1S/C13H10BrClF2N2O/c14-9-6-8(3-4-10(9)15)18-13(20)11-2-1-5-19(11)7-12(16)17/h1-6,12H,7H2,(H,18,20)
InChIKeyIDOWHGJQTBYQPV-UHFFFAOYSA-N
XLogP4.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
N-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609297
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610106
N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609318
2-[2-[(3-bromo-4-fluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104780407
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103094486
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609230
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (CID 114609290) is N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)c(Br)c1)c1cccn1CC(F)F.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The InChIKey is IDOWHGJQTBYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2N2O/c14-9-6-8(3-4-10(9)15)18-13(20)11-2-1-5-19(11)7-12(16)17/h1-6,12H,7H2,(H,18,20).
What are the key properties of N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide has a molecular weight of 363.59 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).