4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide

C15H16BrN3O2 — CID 60954402

IUPAC4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C15H16BrN3O2/c1-3-17-14(20)10-4-6-12(7-5-10)18-15(21)13-8-11(16)9-19(13)2/h4-9H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOLKSFQVWZBZCDN-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.79
Rot. Bonds4

About 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 60954402) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID60954402
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C15H16BrN3O2/c1-3-17-14(20)10-4-6-12(7-5-10)18-15(21)13-8-11(16)9-19(13)2/h4-9H,3H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOLKSFQVWZBZCDN-UHFFFAOYSA-N
XLogP2.79
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60698428
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
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-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 60956273
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
4-benzamido-N-ethylbenzamide
CID 17153265
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 81003777
4-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60932931

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 60954402) is 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide is CCNC(=O)c1ccc(NC(=O)c2cc(Br)cn2C)cc1.
What is the InChIKey of 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is OLKSFQVWZBZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-3-17-14(20)10-4-6-12(7-5-10)18-15(21)13-8-11(16)9-19(13)2/h4-9H,3H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.79, 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-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60954402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).