4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

C14H15BrN2O3 — CID 60728988

IUPAC4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc(Br)c[nH]2)ccc1O
InChIInChI=1S/C14H15BrN2O3/c1-17(14(19)11-6-10(15)7-16-11)8-9-3-4-12(18)13(5-9)20-2/h3-7,16,18H,8H2,1-2H3
InChIKeyPUANVYYQTCRCGF-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.76
Rot. Bonds4

About 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 60728988) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID60728988
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2cc(Br)c[nH]2)ccc1O
InChIInChI=1S/C14H15BrN2O3/c1-17(14(19)11-6-10(15)7-16-11)8-9-3-4-12(18)13(5-9)20-2/h3-7,16,18H,8H2,1-2H3
InChIKeyPUANVYYQTCRCGF-UHFFFAOYSA-N
XLogP2.76
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103801002
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-[(4-bromophenyl)methyl]-N-methyl-4-nitro-1H-pyrrole-2-carboxamide
CID 60674521
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 60728988) is 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is COc1cc(CN(C)C(=O)c2cc(Br)c[nH]2)ccc1O.
What is the InChIKey of 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is PUANVYYQTCRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-17(14(19)11-6-10(15)7-16-11)8-9-3-4-12(18)13(5-9)20-2/h3-7,16,18H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60728988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).