1-(N-(2-chloroacetyl)anilino)-3-phenylurea

C15H14ClN3O2 — CID 4868361

IUPAC1-(N-(2-chloroacetyl)anilino)-3-phenylurea
SMILESO=C(Nc1ccccc1)NN(C(=O)CCl)c1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-11-14(20)19(13-9-5-2-6-10-13)18-15(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
InChIKeyMBYYZKVXOFINJG-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.00
Rot. Bonds3

About 1-(N-(2-chloroacetyl)anilino)-3-phenylurea

1-(N-(2-chloroacetyl)anilino)-3-phenylurea (PubChem CID 4868361) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(N-(2-chloroacetyl)anilino)-3-phenylurea.

Molecular Properties

Compound Name1-(N-(2-chloroacetyl)anilino)-3-phenylurea
PubChem CID4868361
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(N-(2-chloroacetyl)anilino)-3-phenylurea
SMILESO=C(Nc1ccccc1)NN(C(=O)CCl)c1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-11-14(20)19(13-9-5-2-6-10-13)18-15(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
InChIKeyMBYYZKVXOFINJG-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyl-1,2-diphenylhydrazine
CID 140901
3-(2-Chloroacetyl)-1-phenylurea
CID 10976790
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
4,5-dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone
CID 796608
2-chloro-N-{4-[(E)-phenyldiazenyl]phenyl}acetamide
CID 310168
1-Anilino-3-(2-fluorophenyl)urea
CID 4825618
1-(Butanoylamino)-3-phenylurea
CID 1788575
5-Chloro-1-phenyl-1,2-dihydro-3,6-pyridazinedione
CID 227600
Semicarbazide, 1,1-bis(2-chloroethyl)-4-phenyl-
CID 3060789
1-(Phenylhydrazone)oxaniloyl chloride
CID 564883
2-(Difluoroacetyl)-n-phenylhydrazinecarboxamide
CID 129877402
2-oxo-N-phenyl-2-[2-(phenylcarbamoyl)hydrazinyl]acetamide
CID 178321244

Frequently Asked Questions

What is the IUPAC name of 1-(N-(2-chloroacetyl)anilino)-3-phenylurea?
The IUPAC name of 1-(N-(2-chloroacetyl)anilino)-3-phenylurea (CID 4868361) is 1-(N-(2-chloroacetyl)anilino)-3-phenylurea.
What is the SMILES notation for 1-(N-(2-chloroacetyl)anilino)-3-phenylurea?
The canonical SMILES for 1-(N-(2-chloroacetyl)anilino)-3-phenylurea is O=C(Nc1ccccc1)NN(C(=O)CCl)c1ccccc1.
What is the InChIKey of 1-(N-(2-chloroacetyl)anilino)-3-phenylurea?
The InChIKey is MBYYZKVXOFINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-14(20)19(13-9-5-2-6-10-13)18-15(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21).
What are the key properties of 1-(N-(2-chloroacetyl)anilino)-3-phenylurea?
1-(N-(2-chloroacetyl)anilino)-3-phenylurea has a molecular weight of 303.75 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-(2-chloroacetyl)anilino)-3-phenylurea is sourced from PubChem (CID 4868361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).