4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide

C16H17BrN2O2 — CID 43640775

IUPAC4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-5-3-2-4-11(15)9-18-16(20)14-8-12(17)10-19(14)13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,18,20)
InChIKeyKWWUDBCAKWQGSC-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.52
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 43640775) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
PubChem CID43640775
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-5-3-2-4-11(15)9-18-16(20)14-8-12(17)10-19(14)13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,18,20)
InChIKeyKWWUDBCAKWQGSC-UHFFFAOYSA-N
XLogP3.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
methyl 4-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoate
CID 61249864
4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62989655
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-(2-amino-2-cyclopropylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 113282136
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide (CID 43640775) is 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide is COc1ccccc1CNC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is KWWUDBCAKWQGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-15-5-3-2-4-11(15)9-18-16(20)14-8-12(17)10-19(14)13-6-7-13/h2-5,8,10,13H,6-7,9H2,1H3,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43640775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).