1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea

C18H14Cl2N4O — CID 113036867

IUPAC1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-4-8-15(17(14)20)22-13-9-10-16(21-11-13)24-18(25)23-12-5-2-1-3-6-12/h1-11,22H,(H2,21,23,24,25)
InChIKeyWQZBVYGWBGUBSW-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.78
Rot. Bonds4

About 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea

1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea (PubChem CID 113036867) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
PubChem CID113036867
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C18H14Cl2N4O/c19-14-7-4-8-15(17(14)20)22-13-9-10-16(21-11-13)24-18(25)23-12-5-2-1-3-6-12/h1-11,22H,(H2,21,23,24,25)
InChIKeyWQZBVYGWBGUBSW-UHFFFAOYSA-N
XLogP5.78
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-dichloroanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113036860
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413
6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717
5-(2,3-dichloroanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292522
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea (CID 113036867) is 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Nc2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea?
The InChIKey is WQZBVYGWBGUBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-7-4-8-15(17(14)20)22-13-9-10-16(21-11-13)24-18(25)23-12-5-2-1-3-6-12/h1-11,22H,(H2,21,23,24,25).
What are the key properties of 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea?
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea has a molecular weight of 373.24 g/mol, XLogP of 5.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113036867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).