1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea

C13H10Cl3N3O — CID 27165302

IUPAC1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea
SMILESO=C(NNc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3N3O/c14-9-6-5-8(7-11(9)16)17-13(20)19-18-12-4-2-1-3-10(12)15/h1-7,18H,(H2,17,19,20)
InChIKeyISRNKQODUJZBGI-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.80
Rot. Bonds3

About 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea

1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea (PubChem CID 27165302) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea
PubChem CID27165302
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea
SMILESO=C(NNc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3N3O/c14-9-6-5-8(7-11(9)16)17-13(20)19-18-12-4-2-1-3-10(12)15/h1-7,18H,(H2,17,19,20)
InChIKeyISRNKQODUJZBGI-UHFFFAOYSA-N
XLogP4.80
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(3,4-dichloroanilino)-3-(2-nitrophenyl)urea
CID 9438160
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(benzenecarbonothioylamino)-3-(3,4-dichlorophenyl)urea
CID 4198960
1-N-(2-chlorophenyl)-2-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142847
1-(3,4-dichlorophenyl)-3-(pyrimidin-4-ylamino)urea
CID 59081759
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
2-[(3,4-dichlorophenyl)carbamothioylamino]benzamide
CID 3658903
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
2-[[2-[(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 6958356

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea (CID 27165302) is 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea is O=C(NNc1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea?
The InChIKey is ISRNKQODUJZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c14-9-6-5-8(7-11(9)16)17-13(20)19-18-12-4-2-1-3-10(12)15/h1-7,18H,(H2,17,19,20).
What are the key properties of 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea?
1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea has a molecular weight of 330.60 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 27165302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).