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

C14H14BrNO — CID 63926863

IUPAC(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2ccccc2Br)c(C)c1C
InChIInChI=1S/C14H14BrNO/c1-8-9(2)13(16-10(8)3)14(17)11-6-4-5-7-12(11)15/h4-7,16H,1-3H3
InChIKeyODZNOTRWLCLXAO-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.93
Rot. Bonds2

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

(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 63926863) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID63926863
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2ccccc2Br)c(C)c1C
InChIInChI=1S/C14H14BrNO/c1-8-9(2)13(16-10(8)3)14(17)11-6-4-5-7-12(11)15/h4-7,16H,1-3H3
InChIKeyODZNOTRWLCLXAO-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(2-methylsulfanylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 79215369
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 113399947
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63925434
(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81468585
4-[(E)-3-(2-bromophenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 9187926
(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013272
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 63926863) is (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1[nH]c(C(=O)c2ccccc2Br)c(C)c1C.
What is the InChIKey of (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is ODZNOTRWLCLXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-8-9(2)13(16-10(8)3)14(17)11-6-4-5-7-12(11)15/h4-7,16H,1-3H3.
What are the key properties of (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 292.18 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63926863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).