1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea

C15H16Cl2N4O — CID 113022247

IUPAC1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H16Cl2N4O/c1-9(2)19-15(22)20-11-4-6-14(18-8-11)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyMFEZCCIIAXAXNC-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.66
Rot. Bonds4

About 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea

1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 113022247) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
PubChem CID113022247
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C15H16Cl2N4O/c1-9(2)19-15(22)20-11-4-6-14(18-8-11)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyMFEZCCIIAXAXNC-UHFFFAOYSA-N
XLogP4.66
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea (CID 113022247) is 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Nc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is MFEZCCIIAXAXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-9(2)19-15(22)20-11-4-6-14(18-8-11)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea?
1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 339.23 g/mol, XLogP of 4.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113022247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).