N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide

C13H13BrN2O — CID 110769211

IUPACN-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2cc[nH]c2)cc1Br
InChIInChI=1S/C13H13BrN2O/c1-9-2-3-11(7-12(9)14)16-13(17)6-10-4-5-15-8-10/h2-5,7-8,15H,6H2,1H3,(H,16,17)
InChIKeyDDCBTJRFWDPBGF-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.27
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide

N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769211) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769211
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2cc[nH]c2)cc1Br
InChIInChI=1S/C13H13BrN2O/c1-9-2-3-11(7-12(9)14)16-13(17)6-10-4-5-15-8-10/h2-5,7-8,15H,6H2,1H3,(H,16,17)
InChIKeyDDCBTJRFWDPBGF-UHFFFAOYSA-N
XLogP3.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769222
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112998503
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769236
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
N-(3-bromo-4-methylphenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703339
N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 63334584
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide (CID 110769211) is N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide is Cc1ccc(NC(=O)Cc2cc[nH]c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is DDCBTJRFWDPBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-2-3-11(7-12(9)14)16-13(17)6-10-4-5-15-8-10/h2-5,7-8,15H,6H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 293.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).