1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea

C15H23Cl2N2O4P — CID 7241460

IUPAC1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea
SMILESCCOP(=O)(OCC)[C@](C)(CC)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2N2O4P/c1-5-15(4,24(21,22-6-2)23-7-3)19-14(20)18-13-9-11(16)8-12(17)10-13/h8-10H,5-7H2,1-4H3,(H2,18,19,20)/t15-/m1/s1
InChIKeyJTTQLTRMPVXLNS-OAHLLOKOSA-N
MW397.24 g/mol
LogP5.51
Rot. Bonds8

About 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea

1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea (PubChem CID 7241460) has the molecular formula C15H23Cl2N2O4P and a molecular weight of 397.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea
PubChem CID7241460
Molecular FormulaC15H23Cl2N2O4P
Molecular Weight397.24 g/mol
Exact Mass396.08
IUPAC Name1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea
SMILESCCOP(=O)(OCC)[C@](C)(CC)NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2N2O4P/c1-5-15(4,24(21,22-6-2)23-7-3)19-14(20)18-13-9-11(16)8-12(17)10-13/h8-10H,5-7H2,1-4H3,(H2,18,19,20)/t15-/m1/s1
InChIKeyJTTQLTRMPVXLNS-OAHLLOKOSA-N
XLogP5.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.24
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
CID 547585
1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
CID 10066373
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107368764
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107368755
1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)thiourea
CID 11726317
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
3-[(3-chloro-5-fluorophenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107368616
N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea (CID 7241460) is 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea is CCOP(=O)(OCC)[C@](C)(CC)NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea?
The InChIKey is JTTQLTRMPVXLNS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23Cl2N2O4P/c1-5-15(4,24(21,22-6-2)23-7-3)19-14(20)18-13-9-11(16)8-12(17)10-13/h8-10H,5-7H2,1-4H3,(H2,18,19,20)/t15-/m1/s1.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea?
1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea has a molecular weight of 397.24 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(2R)-2-diethoxyphosphorylbutan-2-yl]urea is sourced from PubChem (CID 7241460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).