4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide

C15H14BrClN2O — CID 43640750

IUPAC4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-9-2-3-11(7-13(9)17)18-15(20)14-6-10(16)8-19(14)12-4-5-12/h2-3,6-8,12H,4-5H2,1H3,(H,18,20)
InChIKeyFPOOTOOMZXEECW-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.80
Rot. Bonds3

About 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide

4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43640750) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43640750
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-9-2-3-11(7-13(9)17)18-15(20)14-6-10(16)8-19(14)12-4-5-12/h2-3,6-8,12H,4-5H2,1H3,(H,18,20)
InChIKeyFPOOTOOMZXEECW-UHFFFAOYSA-N
XLogP4.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641280
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
CID 60954660
4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 43640546
4-bromo-1-cyclopropyl-N-(4-hydroxy-2,5-dimethylphenyl)pyrrole-2-carboxamide
CID 106954519
4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
CID 107699264
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
CID 62904631

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide (CID 43640750) is 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cc1Cl.
What is the InChIKey of 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is FPOOTOOMZXEECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-2-3-11(7-13(9)17)18-15(20)14-6-10(16)8-19(14)12-4-5-12/h2-3,6-8,12H,4-5H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide?
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43640750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).