4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide

C14H14Br2N2O — CID 81003777

IUPAC4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H14Br2N2O/c1-3-9-6-10(15)4-5-12(9)17-14(19)13-7-11(16)8-18(13)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyFRFBRYXFNFTECG-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.36
Rot. Bonds3

About 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 81003777) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID81003777
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H14Br2N2O/c1-3-9-6-10(15)4-5-12(9)17-14(19)13-7-11(16)8-18(13)2/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyFRFBRYXFNFTECG-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 80999065
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
N-(4-bromo-2-ethylphenyl)-4-chloro-1-propylpyrrole-2-carboxamide
CID 81288414
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethylbenzoic acid
CID 166349980
4-bromo-N-(2-bromo-4-nitrophenyl)-1-methylpyrrole-2-carboxamide
CID 60955681
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide (CID 81003777) is 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide is CCc1cc(Br)ccc1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FRFBRYXFNFTECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-3-9-6-10(15)4-5-12(9)17-14(19)13-7-11(16)8-18(13)2/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 386.09 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 81003777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).