3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide

C12H10BrClN2O — CID 106385065

IUPAC3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H10BrClN2O/c13-10-5-9(1-2-11(10)14)12(17)16-7-8-3-4-15-6-8/h1-6,15H,7H2,(H,16,17)
InChIKeyLNLJHRVHEQKQOA-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.36
Rot. Bonds3

About 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide

3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 106385065) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID106385065
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H10BrClN2O/c13-10-5-9(1-2-11(10)14)12(17)16-7-8-3-4-15-6-8/h1-6,15H,7H2,(H,16,17)
InChIKeyLNLJHRVHEQKQOA-UHFFFAOYSA-N
XLogP3.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
3-bromo-4-methoxy-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114181973
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106385056
2,4-dichloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182114
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 106385065) is 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide is O=C(NCc1cc[nH]c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is LNLJHRVHEQKQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-10-5-9(1-2-11(10)14)12(17)16-7-8-3-4-15-6-8/h1-6,15H,7H2,(H,16,17).
What are the key properties of 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide?
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 313.58 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 106385065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).