N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide

C14H15BrN2O — CID 43639066

IUPACN-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-9-17-10-3-4-13(17)14(18)16-12-7-5-11(15)6-8-12/h3-8,10H,2,9H2,1H3,(H,16,18)
InChIKeyFDXJGDKVIQNGKR-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.91
Rot. Bonds4

About N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide

N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43639066) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
PubChem CID43639066
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O/c1-2-9-17-10-3-4-13(17)14(18)16-12-7-5-11(15)6-8-12/h3-8,10H,2,9H2,1H3,(H,16,18)
InChIKeyFDXJGDKVIQNGKR-UHFFFAOYSA-N
XLogP3.91
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128394
1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61394373
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
N-(1H-imidazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 63564838
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide (CID 43639066) is N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is FDXJGDKVIQNGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-9-17-10-3-4-13(17)14(18)16-12-7-5-11(15)6-8-12/h3-8,10H,2,9H2,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide?
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).