N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

C14H15BrN2O2 — CID 47002987

IUPACN-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H15BrN2O2/c15-12-8-13(16-9-12)14(19)17(6-7-18)10-11-4-2-1-3-5-11/h1-5,8-9,16,18H,6-7,10H2
InChIKeyDGYGMMITYVLTLF-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.41
Rot. Bonds5

About N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 47002987) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID47002987
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(CCO)Cc1ccccc1
InChIInChI=1S/C14H15BrN2O2/c15-12-8-13(16-9-12)14(19)17(6-7-18)10-11-4-2-1-3-5-11/h1-5,8-9,16,18H,6-7,10H2
InChIKeyDGYGMMITYVLTLF-UHFFFAOYSA-N
XLogP2.41
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-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

N-benzyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 60682006
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-benzyl-5-bromo-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62957970
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 110886500
N-benzyl-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653937
3-[(4-bromo-1H-pyrrole-2-carbonyl)-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 75400944
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-benzyl-2-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103766995
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (CID 47002987) is N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Br)c[nH]1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DGYGMMITYVLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-12-8-13(16-9-12)14(19)17(6-7-18)10-11-4-2-1-3-5-11/h1-5,8-9,16,18H,6-7,10H2.
What are the key properties of N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47002987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).