4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide

C13H14N4O3 — CID 141180654

IUPAC4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(N)=O)cc2)c[nH]1
InChIInChI=1S/C13H14N4O3/c1-15-12(18)11-6-10(7-16-11)20-9-4-2-8(3-5-9)17-13(14)19/h2-7,16H,1H3,(H,15,18)(H3,14,17,19)
InChIKeyMCNKROVBHXHGQL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.66
Rot. Bonds4

About 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide

4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 141180654) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID141180654
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(N)=O)cc2)c[nH]1
InChIInChI=1S/C13H14N4O3/c1-15-12(18)11-6-10(7-16-11)20-9-4-2-8(3-5-9)17-13(14)19/h2-7,16H,1H3,(H,15,18)(H3,14,17,19)
InChIKeyMCNKROVBHXHGQL-UHFFFAOYSA-N
XLogP1.66
TPSA109.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide (CID 141180654) is 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(N)=O)cc2)c[nH]1.
What is the InChIKey of 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is MCNKROVBHXHGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-15-12(18)11-6-10(7-16-11)20-9-4-2-8(3-5-9)17-13(14)19/h2-7,16H,1H3,(H,15,18)(H3,14,17,19).
What are the key properties of 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide?
4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141180654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).