N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide

C14H14BrFN2O — CID 43639068

IUPACN-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O/c1-2-7-18-8-3-4-13(18)14(19)17-12-6-5-10(16)9-11(12)15/h3-6,8-9H,2,7H2,1H3,(H,17,19)
InChIKeyMAUIRSISUYJXOZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.05
Rot. Bonds4

About N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide

N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43639068) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43639068
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC NameN-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H14BrFN2O/c1-2-7-18-8-3-4-13(18)14(19)17-12-6-5-10(16)9-11(12)15/h3-6,8-9H,2,7H2,1H3,(H,17,19)
InChIKeyMAUIRSISUYJXOZ-UHFFFAOYSA-N
XLogP4.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609297
4-amino-N-(4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 43642423
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
CID 87004304

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide (CID 43639068) is N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is MAUIRSISUYJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-7-18-8-3-4-13(18)14(19)17-12-6-5-10(16)9-11(12)15/h3-6,8-9H,2,7H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide?
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 325.18 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).