4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide

C12H10BrClN2O2 — CID 107271771

IUPAC4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)c[nH]2)ccc1Cl
InChIInChI=1S/C12H10BrClN2O2/c1-18-11-5-8(2-3-9(11)14)16-12(17)10-4-7(13)6-15-10/h2-6,15H,1H3,(H,16,17)
InChIKeyAJANVZUFNBSHCC-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.69
Rot. Bonds3

About 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 107271771) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID107271771
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)c[nH]2)ccc1Cl
InChIInChI=1S/C12H10BrClN2O2/c1-18-11-5-8(2-3-9(11)14)16-12(17)10-4-7(13)6-15-10/h2-6,15H,1H3,(H,16,17)
InChIKeyAJANVZUFNBSHCC-UHFFFAOYSA-N
XLogP3.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 60667388
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide (CID 107271771) is 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide is COc1cc(NC(=O)c2cc(Br)c[nH]2)ccc1Cl.
What is the InChIKey of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is AJANVZUFNBSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-18-11-5-8(2-3-9(11)14)16-12(17)10-4-7(13)6-15-10/h2-6,15H,1H3,(H,16,17).
What are the key properties of 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 329.58 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 107271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).