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

C14H12BrClN2O2 — CID 64787688

IUPAC4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H12BrClN2O2/c15-8-5-12(18(7-8)10-2-3-10)14(20)17-9-1-4-11(16)13(19)6-9/h1,4-7,10,19H,2-3H2,(H,17,20)
InChIKeyWZUXCCUFKDKWPP-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.20
Rot. Bonds3

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

4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 64787688) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID64787688
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H12BrClN2O2/c15-8-5-12(18(7-8)10-2-3-10)14(20)17-9-1-4-11(16)13(19)6-9/h1,4-7,10,19H,2-3H2,(H,17,20)
InChIKeyWZUXCCUFKDKWPP-UHFFFAOYSA-N
XLogP4.20
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
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
N-(1,3-benzothiazol-6-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 107805814
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
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-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide (CID 64787688) is 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is WZUXCCUFKDKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c15-8-5-12(18(7-8)10-2-3-10)14(20)17-9-1-4-11(16)13(19)6-9/h1,4-7,10,19H,2-3H2,(H,17,20).
What are the key properties of 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 64787688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).