1-(3-chloro-4-formylphenyl)-3-methylurea

C9H9ClN2O2 — CID 12553770

IUPAC1-(3-chloro-4-formylphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C9H9ClN2O2/c1-11-9(14)12-7-3-2-6(5-13)8(10)4-7/h2-5H,1H3,(H2,11,12,14)
InChIKeyHIIWFFRGSXASFX-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.90
Rot. Bonds2

About 1-(3-chloro-4-formylphenyl)-3-methylurea

1-(3-chloro-4-formylphenyl)-3-methylurea (PubChem CID 12553770) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(3-chloro-4-formylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-chloro-4-formylphenyl)-3-methylurea
PubChem CID12553770
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-(3-chloro-4-formylphenyl)-3-methylurea
SMILESCNC(=O)Nc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C9H9ClN2O2/c1-11-9(14)12-7-3-2-6(5-13)8(10)4-7/h2-5H,1H3,(H2,11,12,14)
InChIKeyHIIWFFRGSXASFX-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-formylphenyl)-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-(3-chloro-4-formylphenyl)carbamate
CID 12553757
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
1-(4-chloro-3-prop-2-ynoxyphenyl)-3-methylurea
CID 118123567
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-3-methylurea
CID 12942090
N-(4-chloro-3-formylphenyl)-2,2,2-trifluoroacetamide
CID 142053542
methyl 2-(3-chloro-4-formylphenyl)acetate
CID 59520437
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-formylphenyl)-3-methylurea?
The IUPAC name of 1-(3-chloro-4-formylphenyl)-3-methylurea (CID 12553770) is 1-(3-chloro-4-formylphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-chloro-4-formylphenyl)-3-methylurea?
The canonical SMILES for 1-(3-chloro-4-formylphenyl)-3-methylurea is CNC(=O)Nc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-formylphenyl)-3-methylurea?
The InChIKey is HIIWFFRGSXASFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-11-9(14)12-7-3-2-6(5-13)8(10)4-7/h2-5H,1H3,(H2,11,12,14).
What are the key properties of 1-(3-chloro-4-formylphenyl)-3-methylurea?
1-(3-chloro-4-formylphenyl)-3-methylurea has a molecular weight of 212.64 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-formylphenyl)-3-methylurea is sourced from PubChem (CID 12553770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).