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

C14H13Br2NO — CID 114023489

IUPAC(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2cc(Br)cc(Br)c2)c(C)c1C
InChIInChI=1S/C14H13Br2NO/c1-7-8(2)13(17-9(7)3)14(18)10-4-11(15)6-12(16)5-10/h4-6,17H,1-3H3
InChIKeyGADMFPGBSAQYJG-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.70
Rot. Bonds2

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

(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 114023489) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID114023489
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1[nH]c(C(=O)c2cc(Br)cc(Br)c2)c(C)c1C
InChIInChI=1S/C14H13Br2NO/c1-7-8(2)13(17-9(7)3)14(18)10-4-11(15)6-12(16)5-10/h4-6,17H,1-3H3
InChIKeyGADMFPGBSAQYJG-UHFFFAOYSA-N
XLogP4.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63926863
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone
CID 68535238
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
(4-fluoro-2-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 113399947
(5-bromo-2-methylthiophen-3-yl)-(3,5-dibromophenyl)methanone
CID 107979661
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 163793229
3-bromo-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 83814937

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 114023489) is (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1[nH]c(C(=O)c2cc(Br)cc(Br)c2)c(C)c1C.
What is the InChIKey of (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is GADMFPGBSAQYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-7-8(2)13(17-9(7)3)14(18)10-4-11(15)6-12(16)5-10/h4-6,17H,1-3H3.
What are the key properties of (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 371.07 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 114023489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).