1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea

C20H20N6O2 — CID 175418478

IUPAC1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
SMILESNC(=O)N(c1ccccc1N)c1ccccc1N(C(N)=O)c1ccccc1N
InChIInChI=1S/C20H20N6O2/c21-13-7-1-3-9-15(13)25(19(23)27)17-11-5-6-12-18(17)26(20(24)28)16-10-4-2-8-14(16)22/h1-12H,21-22H2,(H2,23,27)(H2,24,28)
InChIKeyJUWKVCOJXZUZTC-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.28
Rot. Bonds4

About 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea

1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea (PubChem CID 175418478) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
PubChem CID175418478
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea
SMILESNC(=O)N(c1ccccc1N)c1ccccc1N(C(N)=O)c1ccccc1N
InChIInChI=1S/C20H20N6O2/c21-13-7-1-3-9-15(13)25(19(23)27)17-11-5-6-12-18(17)26(20(24)28)16-10-4-2-8-14(16)22/h1-12H,21-22H2,(H2,23,27)(H2,24,28)
InChIKeyJUWKVCOJXZUZTC-UHFFFAOYSA-N
XLogP3.28
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea?
The IUPAC name of 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea (CID 175418478) is 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea.
What is the SMILES notation for 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea?
The canonical SMILES for 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea is NC(=O)N(c1ccccc1N)c1ccccc1N(C(N)=O)c1ccccc1N.
What is the InChIKey of 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea?
The InChIKey is JUWKVCOJXZUZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c21-13-7-1-3-9-15(13)25(19(23)27)17-11-5-6-12-18(17)26(20(24)28)16-10-4-2-8-14(16)22/h1-12H,21-22H2,(H2,23,27)(H2,24,28).
What are the key properties of 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea?
1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea has a molecular weight of 376.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-N-carbamoylanilino)phenyl]-1-(2-aminophenyl)urea is sourced from PubChem (CID 175418478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).