(3-chlorophenyl)urea;1,2-xylene

C15H17ClN2O — CID 70502289

IUPAC(3-chlorophenyl)urea;1,2-xylene
SMILESCc1ccccc1C.NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H10.C7H7ClN2O/c1-7-5-3-4-6-8(7)2;8-5-2-1-3-6(4-5)10-7(9)11/h3-6H,1-2H3;1-4H,(H3,9,10,11)
InChIKeyZGSSQJGUUWHRGV-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.13
Rot. Bonds1

About (3-chlorophenyl)urea;1,2-xylene

(3-chlorophenyl)urea;1,2-xylene (PubChem CID 70502289) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (3-chlorophenyl)urea;1,2-xylene.

Molecular Properties

Compound Name(3-chlorophenyl)urea;1,2-xylene
PubChem CID70502289
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(3-chlorophenyl)urea;1,2-xylene
SMILESCc1ccccc1C.NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H10.C7H7ClN2O/c1-7-5-3-4-6-8(7)2;8-5-2-1-3-6(4-5)10-7(9)11/h3-6H,1-2H3;1-4H,(H3,9,10,11)
InChIKeyZGSSQJGUUWHRGV-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
1-(2-carbamothioyl-3-methylphenyl)-3-(3-chlorophenyl)urea
CID 107798926
(E)-but-2-enedioic acid;(3-chlorophenyl)carbamic acid
CID 162332923
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
[3-(chloroamino)phenyl]urea
CID 155328094
(3-chlorophenyl)thiourea
CID 2734794
[3-(methylamino)phenyl]urea
CID 23558981
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)urea;1,2-xylene?
The IUPAC name of (3-chlorophenyl)urea;1,2-xylene (CID 70502289) is (3-chlorophenyl)urea;1,2-xylene.
What is the SMILES notation for (3-chlorophenyl)urea;1,2-xylene?
The canonical SMILES for (3-chlorophenyl)urea;1,2-xylene is Cc1ccccc1C.NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)urea;1,2-xylene?
The InChIKey is ZGSSQJGUUWHRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H7ClN2O/c1-7-5-3-4-6-8(7)2;8-5-2-1-3-6(4-5)10-7(9)11/h3-6H,1-2H3;1-4H,(H3,9,10,11).
What are the key properties of (3-chlorophenyl)urea;1,2-xylene?
(3-chlorophenyl)urea;1,2-xylene has a molecular weight of 276.77 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)urea;1,2-xylene is sourced from PubChem (CID 70502289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).