4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide

C15H17BrN2O3 — CID 60933897

IUPAC4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCOCCOCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1
InChIInChI=1S/C15H17BrN2O3/c1-20-5-6-21-10-11-3-2-4-13(7-11)18-15(19)14-8-12(16)9-17-14/h2-4,7-9,17H,5-6,10H2,1H3,(H,18,19)
InChIKeyNWXNTLHRINHADN-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.19
Rot. Bonds7

About 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 60933897) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID60933897
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCOCCOCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1
InChIInChI=1S/C15H17BrN2O3/c1-20-5-6-21-10-11-3-2-4-13(7-11)18-15(19)14-8-12(16)9-17-14/h2-4,7-9,17H,5-6,10H2,1H3,(H,18,19)
InChIKeyNWXNTLHRINHADN-UHFFFAOYSA-N
XLogP3.19
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
4-bromo-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51128969
tert-butyl N-[[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 55850427
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
N-[3-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261705
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
CID 115353092
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 60933897) is 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide is COCCOCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1.
What is the InChIKey of 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NWXNTLHRINHADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-20-5-6-21-10-11-3-2-4-13(7-11)18-15(19)14-8-12(16)9-17-14/h2-4,7-9,17H,5-6,10H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-methoxyethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60933897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).