N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide

C15H17BrN2O — CID 61415884

IUPACN-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-3-18-10-4-5-14(18)15(19)17(2)11-12-6-8-13(16)9-7-12/h4-10H,3,11H2,1-2H3
InChIKeyMIAWOPNDXLLQAI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.54
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide

N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 61415884) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID61415884
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-3-18-10-4-5-14(18)15(19)17(2)11-12-6-8-13(16)9-7-12/h4-10H,3,11H2,1-2H3
InChIKeyMIAWOPNDXLLQAI-UHFFFAOYSA-N
XLogP3.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-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-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61044229
N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
2-[2-[(3-bromophenyl)methyl-methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 79321937
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
2-[2-[ethyl(methyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324864
N-[(4-ethylphenyl)methyl]-1-(4-iodophenyl)-N-methylpyrrole-2-carboxamide
CID 166335433

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (CID 61415884) is N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cccc1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is MIAWOPNDXLLQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-18-10-4-5-14(18)15(19)17(2)11-12-6-8-13(16)9-7-12/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61415884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).