[4-(2-chloroethyl)phenyl]urea

C9H11ClN2O — CID 70156688

IUPAC[4-(2-chloroethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C9H11ClN2O/c10-6-5-7-1-3-8(4-2-7)12-9(11)13/h1-4H,5-6H2,(H3,11,12,13)
InChIKeyRCGQLRHRNDMYIR-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.96
Rot. Bonds3

About [4-(2-chloroethyl)phenyl]urea

[4-(2-chloroethyl)phenyl]urea (PubChem CID 70156688) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is [4-(2-chloroethyl)phenyl]urea.

Molecular Properties

Compound Name[4-(2-chloroethyl)phenyl]urea
PubChem CID70156688
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name[4-(2-chloroethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(CCCl)cc1
InChIInChI=1S/C9H11ClN2O/c10-6-5-7-1-3-8(4-2-7)12-9(11)13/h1-4H,5-6H2,(H3,11,12,13)
InChIKeyRCGQLRHRNDMYIR-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
[4-(carbamoylamino)phenyl]methanesulfonyl chloride
CID 117374915
N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
N-[4-(2-chloroethyl)phenyl]-2-methylsulfonylacetamide
CID 114299169
[4-(carbamoylamino)phenyl]methyliodanuidylformamide
CID 163459688
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
CID 113272163
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
[4-(chloromethylsulfonylamino)phenyl]urea
CID 63666209
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide
CID 114299125

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethyl)phenyl]urea?
The IUPAC name of [4-(2-chloroethyl)phenyl]urea (CID 70156688) is [4-(2-chloroethyl)phenyl]urea.
What is the SMILES notation for [4-(2-chloroethyl)phenyl]urea?
The canonical SMILES for [4-(2-chloroethyl)phenyl]urea is NC(=O)Nc1ccc(CCCl)cc1.
What is the InChIKey of [4-(2-chloroethyl)phenyl]urea?
The InChIKey is RCGQLRHRNDMYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-6-5-7-1-3-8(4-2-7)12-9(11)13/h1-4H,5-6H2,(H3,11,12,13).
What are the key properties of [4-(2-chloroethyl)phenyl]urea?
[4-(2-chloroethyl)phenyl]urea has a molecular weight of 198.65 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethyl)phenyl]urea is sourced from PubChem (CID 70156688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).