4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide

C14H15BrN2O — CID 43410978

IUPAC4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cn2C)cc1C
InChIInChI=1S/C14H15BrN2O/c1-9-4-5-12(6-10(9)2)16-14(18)13-7-11(15)8-17(13)3/h4-8H,1-3H3,(H,16,18)
InChIKeyVNDSNEZRZHPTSB-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.66
Rot. Bonds2

About 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43410978) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID43410978
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cn2C)cc1C
InChIInChI=1S/C14H15BrN2O/c1-9-4-5-12(6-10(9)2)16-14(18)13-7-11(15)8-17(13)3/h4-8H,1-3H3,(H,16,18)
InChIKeyVNDSNEZRZHPTSB-UHFFFAOYSA-N
XLogP3.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-bromo-1-methyl-N-(4-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 43411085
2-[5-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrrol-3-yl]-2-oxoacetic acid
CID 163857294
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60932931
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
N-(5-acetamido-2-fluorophenyl)-4-bromo-1-methylpyrrole-2-carboxamide
CID 60728721

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide (CID 43410978) is 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(Br)cn2C)cc1C.
What is the InChIKey of 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is VNDSNEZRZHPTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-4-5-12(6-10(9)2)16-14(18)13-7-11(15)8-17(13)3/h4-8H,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43410978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).