N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide

C14H12BrClF2N2O — CID 65498938

IUPACN-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrClF2N2O/c1-2-3-20-7-9(16)6-12(20)14(21)19-13-10(17)4-8(15)5-11(13)18/h4-7H,2-3H2,1H3,(H,19,21)
InChIKeyKIUTXNKNSBFGPI-UHFFFAOYSA-N
MW377.62 g/mol
LogP4.84
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide

N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide (PubChem CID 65498938) has the molecular formula C14H12BrClF2N2O and a molecular weight of 377.62 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
PubChem CID65498938
Molecular FormulaC14H12BrClF2N2O
Molecular Weight377.62 g/mol
Exact Mass375.98
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrClF2N2O/c1-2-3-20-7-9(16)6-12(20)14(21)19-13-10(17)4-8(15)5-11(13)18/h4-7H,2-3H2,1H3,(H,19,21)
InChIKeyKIUTXNKNSBFGPI-UHFFFAOYSA-N
XLogP4.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
N-(4-bromo-2-methylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 43639788
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
4-chloro-N-(6-fluoro-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 104820532
4-amino-N-(2,6-difluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43643237
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
CID 104877038
4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide (CID 65498938) is N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
The InChIKey is KIUTXNKNSBFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2O/c1-2-3-20-7-9(16)6-12(20)14(21)19-13-10(17)4-8(15)5-11(13)18/h4-7H,2-3H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide?
N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide has a molecular weight of 377.62 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-chloro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 65498938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).