1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea

C20H14Cl4N4O2 — CID 138112353

IUPAC1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea
SMILESNC(=O)N(c1cccc(N(C(N)=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl4N4O2/c21-11-4-6-17(15(23)8-11)27(19(25)29)13-2-1-3-14(10-13)28(20(26)30)18-7-5-12(22)9-16(18)24/h1-10H,(H2,25,29)(H2,26,30)
InChIKeyPFQBUMZAYKAVPT-UHFFFAOYSA-N
MW484.17 g/mol
LogP6.73
Rot. Bonds4

About 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea

1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea (PubChem CID 138112353) has the molecular formula C20H14Cl4N4O2 and a molecular weight of 484.17 g/mol. Its IUPAC name is 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea
PubChem CID138112353
Molecular FormulaC20H14Cl4N4O2
Molecular Weight484.17 g/mol
Exact Mass481.99
IUPAC Name1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea
SMILESNC(=O)N(c1cccc(N(C(N)=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl4N4O2/c21-11-4-6-17(15(23)8-11)27(19(25)29)13-2-1-3-14(10-13)28(20(26)30)18-7-5-12(22)9-16(18)24/h1-10H,(H2,25,29)(H2,26,30)
InChIKeyPFQBUMZAYKAVPT-UHFFFAOYSA-N
XLogP6.73
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.17
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-1-(3-chlorophenyl)urea
CID 67517857
1,1-bis(3-chlorophenyl)thiourea
CID 18515542
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
CID 56949574
1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea
CID 54524786
1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea
CID 70072831
N-(2,4-dichlorophenyl)-2-methylpropanehydrazide
CID 67924615
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
1-(3-chlorophenyl)-1-(3,4-difluoro-2-hydroxyphenyl)thiourea
CID 174350995
1,1-diphenylurea
CID 174849888
1-(2-chlorophenyl)-1-(4-ethylphenyl)urea
CID 174390843
3-(N-carbamoylanilino)-4-chloro-N-(diaminomethylidene)benzamide;hydrochloride
CID 67770937

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea (CID 138112353) is 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea is NC(=O)N(c1cccc(N(C(N)=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea?
The InChIKey is PFQBUMZAYKAVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4N4O2/c21-11-4-6-17(15(23)8-11)27(19(25)29)13-2-1-3-14(10-13)28(20(26)30)18-7-5-12(22)9-16(18)24/h1-10H,(H2,25,29)(H2,26,30).
What are the key properties of 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea?
1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea has a molecular weight of 484.17 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-carbamoyl-2,4-dichloroanilino)phenyl]-1-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 138112353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).