[(4-chlorophenyl)-methoxymethyl]urea

C9H11ClN2O2 — CID 54239843

IUPAC[(4-chlorophenyl)-methoxymethyl]urea
SMILESCOC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-14-8(12-9(11)13)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H3,11,12,13)
InChIKeyQPFNLVSARCZZFR-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.65
Rot. Bonds3

About [(4-chlorophenyl)-methoxymethyl]urea

[(4-chlorophenyl)-methoxymethyl]urea (PubChem CID 54239843) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is [(4-chlorophenyl)-methoxymethyl]urea.

Molecular Properties

Compound Name[(4-chlorophenyl)-methoxymethyl]urea
PubChem CID54239843
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name[(4-chlorophenyl)-methoxymethyl]urea
SMILESCOC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-14-8(12-9(11)13)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H3,11,12,13)
InChIKeyQPFNLVSARCZZFR-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 43020953
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
methyl 2-(4-chlorophenyl)-3-oxopropanoate
CID 54175582
(4-chlorophenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608684
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-methoxymethyl]urea?
The IUPAC name of [(4-chlorophenyl)-methoxymethyl]urea (CID 54239843) is [(4-chlorophenyl)-methoxymethyl]urea.
What is the SMILES notation for [(4-chlorophenyl)-methoxymethyl]urea?
The canonical SMILES for [(4-chlorophenyl)-methoxymethyl]urea is COC(NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)-methoxymethyl]urea?
The InChIKey is QPFNLVSARCZZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-14-8(12-9(11)13)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H3,11,12,13).
What are the key properties of [(4-chlorophenyl)-methoxymethyl]urea?
[(4-chlorophenyl)-methoxymethyl]urea has a molecular weight of 214.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-methoxymethyl]urea is sourced from PubChem (CID 54239843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).