2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide

C12H11BrN4O2 — CID 140548833

IUPAC2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1cc(Br)ccc1-c1[nH]ccc1C(N)=O
InChIInChI=1S/C12H11BrN4O2/c13-6-1-2-7(9(5-6)17-12(15)19)10-8(11(14)18)3-4-16-10/h1-5,16H,(H2,14,18)(H3,15,17,19)
InChIKeyNTZUHDJASOBAQX-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.03
Rot. Bonds3

About 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide

2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 140548833) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID140548833
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1cc(Br)ccc1-c1[nH]ccc1C(N)=O
InChIInChI=1S/C12H11BrN4O2/c13-6-1-2-7(9(5-6)17-12(15)19)10-8(11(14)18)3-4-16-10/h1-5,16H,(H2,14,18)(H3,15,17,19)
InChIKeyNTZUHDJASOBAQX-UHFFFAOYSA-N
XLogP2.03
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide (CID 140548833) is 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide is NC(=O)Nc1cc(Br)ccc1-c1[nH]ccc1C(N)=O.
What is the InChIKey of 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is NTZUHDJASOBAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c13-6-1-2-7(9(5-6)17-12(15)19)10-8(11(14)18)3-4-16-10/h1-5,16H,(H2,14,18)(H3,15,17,19).
What are the key properties of 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide?
2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 323.15 g/mol, XLogP of 2.03, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(carbamoylamino)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 140548833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).