1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea

C16H16Cl3N2O4P — CID 87917214

IUPAC1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea
SMILESCOP(=O)(Cc1cc(Cl)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1)OC
InChIInChI=1S/C16H16Cl3N2O4P/c1-24-26(23,25-2)9-10-5-11(17)3-4-15(10)21-16(22)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H2,20,21,22)
InChIKeyALNZJUQLDSQQSP-UHFFFAOYSA-N
MW437.65 g/mol
LogP6.28
Rot. Bonds6

About 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea

1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 87917214) has the molecular formula C16H16Cl3N2O4P and a molecular weight of 437.65 g/mol. Its IUPAC name is 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea
PubChem CID87917214
Molecular FormulaC16H16Cl3N2O4P
Molecular Weight437.65 g/mol
Exact Mass435.99
IUPAC Name1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea
SMILESCOP(=O)(Cc1cc(Cl)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1)OC
InChIInChI=1S/C16H16Cl3N2O4P/c1-24-26(23,25-2)9-10-5-11(17)3-4-15(10)21-16(22)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H2,20,21,22)
InChIKeyALNZJUQLDSQQSP-UHFFFAOYSA-N
XLogP6.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea 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

1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
4-chloro-2-(dimethoxyphosphorylmethyl)aniline
CID 87612320
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-[3-(2-hydroxyethylamino)-5-methoxyphenyl]urea
CID 156854692
4-chloro-2-[(3-chloro-5-fluorophenyl)carbamoylamino]-N-methylbenzamide
CID 156854289
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea (CID 87917214) is 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea is COP(=O)(Cc1cc(Cl)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1)OC.
What is the InChIKey of 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is ALNZJUQLDSQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N2O4P/c1-24-26(23,25-2)9-10-5-11(17)3-4-15(10)21-16(22)20-14-7-12(18)6-13(19)8-14/h3-8H,9H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea?
1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 437.65 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(dimethoxyphosphorylmethyl)phenyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 87917214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).