carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid

C17H16N4O6 — CID 140734269

IUPACcarboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid
SMILESNC(=O)N(C(N)=O)c1ccccc1Cc1ccccc1N(C(=O)O)C(=O)O
InChIInChI=1S/C17H16N4O6/c18-14(22)20(15(19)23)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)21(16(24)25)17(26)27/h1-8H,9H2,(H2,18,22)(H2,19,23)(H,24,25)(H,26,27)
InChIKeyYMZZHVWDZIOMME-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.40
Rot. Bonds4

About carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid

carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid (PubChem CID 140734269) has the molecular formula C17H16N4O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid.

Molecular Properties

Compound Namecarboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid
PubChem CID140734269
Molecular FormulaC17H16N4O6
Molecular Weight372.34 g/mol
Exact Mass372.11
IUPAC Namecarboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid
SMILESNC(=O)N(C(N)=O)c1ccccc1Cc1ccccc1N(C(=O)O)C(=O)O
InChIInChI=1S/C17H16N4O6/c18-14(22)20(15(19)23)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)21(16(24)25)17(26)27/h1-8H,9H2,(H2,18,22)(H2,19,23)(H,24,25)(H,26,27)
InChIKeyYMZZHVWDZIOMME-UHFFFAOYSA-N
XLogP2.40
TPSA167.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid?
The IUPAC name of carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid (CID 140734269) is carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid.
What is the SMILES notation for carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid?
The canonical SMILES for carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid is NC(=O)N(C(N)=O)c1ccccc1Cc1ccccc1N(C(=O)O)C(=O)O.
What is the InChIKey of carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid?
The InChIKey is YMZZHVWDZIOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6/c18-14(22)20(15(19)23)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)21(16(24)25)17(26)27/h1-8H,9H2,(H2,18,22)(H2,19,23)(H,24,25)(H,26,27).
What are the key properties of carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid?
carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid has a molecular weight of 372.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy-[2-[[2-(dicarbamoylamino)phenyl]methyl]phenyl]carbamic acid is sourced from PubChem (CID 140734269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).