1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea

C8H8Cl2N4O2 — CID 75369271

IUPAC1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
SMILESNC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N4O2/c9-4-1-2-5(10)6(3-4)12-8(16)14-13-7(11)15/h1-3H,(H3,11,13,15)(H2,12,14,16)
InChIKeyMCEBRIDGWWVQAI-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.70
Rot. Bonds1

About 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea

1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea (PubChem CID 75369271) has the molecular formula C8H8Cl2N4O2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
PubChem CID75369271
Molecular FormulaC8H8Cl2N4O2
Molecular Weight263.08 g/mol
Exact Mass262.00
IUPAC Name1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
SMILESNC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H8Cl2N4O2/c9-4-1-2-5(10)6(3-4)12-8(16)14-13-7(11)15/h1-3H,(H3,11,13,15)(H2,12,14,16)
InChIKeyMCEBRIDGWWVQAI-UHFFFAOYSA-N
XLogP1.70
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)urea
CID 112700262
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274928
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909411
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(2,5-dichlorophenyl)-3-(2-methoxyethoxy)urea
CID 113249966
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea (CID 75369271) is 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea is NC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea?
The InChIKey is MCEBRIDGWWVQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O2/c9-4-1-2-5(10)6(3-4)12-8(16)14-13-7(11)15/h1-3H,(H3,11,13,15)(H2,12,14,16).
What are the key properties of 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea?
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea has a molecular weight of 263.08 g/mol, XLogP of 1.70, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 75369271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).