4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide

C14H11BrCl2N2O — CID 43640889

IUPAC4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H11BrCl2N2O/c15-8-5-13(19(7-8)10-2-3-10)14(20)18-9-1-4-11(16)12(17)6-9/h1,4-7,10H,2-3H2,(H,18,20)
InChIKeyOYWSPMVGMHKMDM-UHFFFAOYSA-N
MW374.07 g/mol
LogP5.14
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide (PubChem CID 43640889) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
PubChem CID43640889
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H11BrCl2N2O/c15-8-5-13(19(7-8)10-2-3-10)14(20)18-9-1-4-11(16)12(17)6-9/h1,4-7,10H,2-3H2,(H,18,20)
InChIKeyOYWSPMVGMHKMDM-UHFFFAOYSA-N
XLogP5.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.07
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
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-(1,2-oxazol-3-yl)pyrrole-2-carboxamide
CID 62903302

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide (CID 43640889) is 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide?
The InChIKey is OYWSPMVGMHKMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c15-8-5-13(19(7-8)10-2-3-10)14(20)18-9-1-4-11(16)12(17)6-9/h1,4-7,10H,2-3H2,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide has a molecular weight of 374.07 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).