4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide

C10H10BrN3O — CID 106385056

IUPAC4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H10BrN3O/c11-8-3-9(13-6-8)10(15)14-5-7-1-2-12-4-7/h1-4,6,12-13H,5H2,(H,14,15)
InChIKeyCTNLEIZHHIVMLC-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.04
Rot. Bonds3

About 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 106385056) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID106385056
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1cc(Br)c[nH]1
InChIInChI=1S/C10H10BrN3O/c11-8-3-9(13-6-8)10(15)14-5-7-1-2-12-4-7/h1-4,6,12-13H,5H2,(H,14,15)
InChIKeyCTNLEIZHHIVMLC-UHFFFAOYSA-N
XLogP2.04
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
4-bromo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 37039903
2-[2-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318040
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 37481765
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
4-bromo-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 32979369
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 106385056) is 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1cc[nH]c1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is CTNLEIZHHIVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-3-9(13-6-8)10(15)14-5-7-1-2-12-4-7/h1-4,6,12-13H,5H2,(H,14,15).
What are the key properties of 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 268.11 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106385056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).