(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

C15H16BrNO — CID 81109831

IUPAC(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2[nH]c(C)c(C)c2C)c1
InChIInChI=1S/C15H16BrNO/c1-8-5-6-13(16)12(7-8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3
InChIKeyFDGFBWKNYQRQMZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.24
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 81109831) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID81109831
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(Br)c(C(=O)c2[nH]c(C)c(C)c2C)c1
InChIInChI=1S/C15H16BrNO/c1-8-5-6-13(16)12(7-8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3
InChIKeyFDGFBWKNYQRQMZ-UHFFFAOYSA-N
XLogP4.24
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63926863
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
(2-bromo-5-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319368
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 81109831) is (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1ccc(Br)c(C(=O)c2[nH]c(C)c(C)c2C)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is FDGFBWKNYQRQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-8-5-6-13(16)12(7-8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3.
What are the key properties of (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 306.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 81109831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).