4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide

C16H17BrN2O2 — CID 61222503

IUPAC4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H17BrN2O2/c17-12-9-15(19(10-12)14-5-6-14)16(21)18-13-3-1-11(2-4-13)7-8-20/h1-4,9-10,14,20H,5-8H2,(H,18,21)
InChIKeyKUMIGAMCGAWJPN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.37
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 61222503) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
PubChem CID61222503
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H17BrN2O2/c17-12-9-15(19(10-12)14-5-6-14)16(21)18-13-3-1-11(2-4-13)7-8-20/h1-4,9-10,14,20H,5-8H2,(H,18,21)
InChIKeyKUMIGAMCGAWJPN-UHFFFAOYSA-N
XLogP3.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-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

4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
4-chloro-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222329
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
CID 43642381
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641280
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide (CID 61222503) is 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide is O=C(Nc1ccc(CCO)cc1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is KUMIGAMCGAWJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-12-9-15(19(10-12)14-5-6-14)16(21)18-13-3-1-11(2-4-13)7-8-20/h1-4,9-10,14,20H,5-8H2,(H,18,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61222503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).