1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide

C24H24BrN3O2 — CID 55964791

IUPAC1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C24H24BrN3O2/c1-14-4-5-17(23(29)26-19-8-9-19)13-22(14)27-24(30)21-12-15(2)28(16(21)3)20-10-6-18(25)7-11-20/h4-7,10-13,19H,8-9H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyDMPMLIPGLBNWLG-UHFFFAOYSA-N
MW466.38 g/mol
LogP5.31
Rot. Bonds5

About 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide

1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55964791) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55964791
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C24H24BrN3O2/c1-14-4-5-17(23(29)26-19-8-9-19)13-22(14)27-24(30)21-12-15(2)28(16(21)3)20-10-6-18(25)7-11-20/h4-7,10-13,19H,8-9H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyDMPMLIPGLBNWLG-UHFFFAOYSA-N
XLogP5.31
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2,5-dimethyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119453825
3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 91646526
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
CID 58786259
1-(4-bromophenyl)-N-(5-carbamoyl-2,4-difluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56572905
3-[[2-[(4-bromophenyl)methylsulfonyl]acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 112833756
3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60530746
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-(4-aminocyclohexyl)-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119474321
1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
CID 119503905
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-[4-(cyclopentylcarbamoyl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 55992219

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55964791) is 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is DMPMLIPGLBNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-14-4-5-17(23(29)26-19-8-9-19)13-22(14)27-24(30)21-12-15(2)28(16(21)3)20-10-6-18(25)7-11-20/h4-7,10-13,19H,8-9H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 466.38 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55964791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).