(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide

C19H17BrN2O — CID 95367609

IUPAC(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
SMILESCc1cc(NC(=O)[C@@H](c2ccccc2)n2cccc2)ccc1Br
InChIInChI=1S/C19H17BrN2O/c1-14-13-16(9-10-17(14)20)21-19(23)18(22-11-5-6-12-22)15-7-3-2-4-8-15/h2-13,18H,1H3,(H,21,23)/t18-/m1/s1
InChIKeySCJDNXRIBXCULM-GOSISDBHSA-N
MW369.26 g/mol
LogP4.79
Rot. Bonds4

About (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide

(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide (PubChem CID 95367609) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
PubChem CID95367609
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
SMILESCc1cc(NC(=O)[C@@H](c2ccccc2)n2cccc2)ccc1Br
InChIInChI=1S/C19H17BrN2O/c1-14-13-16(9-10-17(14)20)21-19(23)18(22-11-5-6-12-22)15-7-3-2-4-8-15/h2-13,18H,1H3,(H,21,23)/t18-/m1/s1
InChIKeySCJDNXRIBXCULM-GOSISDBHSA-N
XLogP4.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
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2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
N'-(4-bromo-3-methylphenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967197
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
CID 40796758
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide?
The IUPAC name of (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide (CID 95367609) is (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide.
What is the SMILES notation for (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide?
The canonical SMILES for (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide is Cc1cc(NC(=O)[C@@H](c2ccccc2)n2cccc2)ccc1Br.
What is the InChIKey of (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide?
The InChIKey is SCJDNXRIBXCULM-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17BrN2O/c1-14-13-16(9-10-17(14)20)21-19(23)18(22-11-5-6-12-22)15-7-3-2-4-8-15/h2-13,18H,1H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide?
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide has a molecular weight of 369.26 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 95367609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).