N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide

C17H19BrN2O — CID 114609306

IUPACN-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C17H19BrN2O/c1-2-12-11-13(18)8-9-15(12)19-17(21)16-7-4-10-20(16)14-5-3-6-14/h4,7-11,14H,2-3,5-6H2,1H3,(H,19,21)
InChIKeyUGYIHTKWKPOSFN-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.79
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide

N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114609306) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114609306
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C17H19BrN2O/c1-2-12-11-13(18)8-9-15(12)19-17(21)16-7-4-10-20(16)14-5-3-6-14/h4,7-11,14H,2-3,5-6H2,1H3,(H,19,21)
InChIKeyUGYIHTKWKPOSFN-UHFFFAOYSA-N
XLogP4.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81004246
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
N-(5-bromo-2-chloro-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 114052140
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide (CID 114609306) is N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide is CCc1cc(Br)ccc1NC(=O)c1cccn1C1CCC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is UGYIHTKWKPOSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-12-11-13(18)8-9-15(12)19-17(21)16-7-4-10-20(16)14-5-3-6-14/h4,7-11,14H,2-3,5-6H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 4.79, 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-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114609306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).