2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide

C12H10Br2N2O — CID 106385030

IUPAC2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c13-9-1-2-10(11(14)5-9)12(17)16-7-8-3-4-15-6-8/h1-6,15H,7H2,(H,16,17)
InChIKeyLWFYPQIQILNPKV-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.47
Rot. Bonds3

About 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide

2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 106385030) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID106385030
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c13-9-1-2-10(11(14)5-9)12(17)16-7-8-3-4-15-6-8/h1-6,15H,7H2,(H,16,17)
InChIKeyLWFYPQIQILNPKV-UHFFFAOYSA-N
XLogP3.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106385056
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385091
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dichloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182114
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 106385030) is 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide is O=C(NCc1cc[nH]c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is LWFYPQIQILNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-9-1-2-10(11(14)5-9)12(17)16-7-8-3-4-15-6-8/h1-6,15H,7H2,(H,16,17).
What are the key properties of 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide?
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 358.03 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 106385030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).