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

C15H16Cl2N4O — CID 113036774

IUPAC1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-9(2)19-15(22)21-14-6-4-11(8-18-14)20-13-7-10(16)3-5-12(13)17/h3-9,20H,1-2H3,(H2,18,19,21,22)
InChIKeyMALJGTPHZUQJER-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.66
Rot. Bonds4

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

1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113036774) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113036774
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C15H16Cl2N4O/c1-9(2)19-15(22)21-14-6-4-11(8-18-14)20-13-7-10(16)3-5-12(13)17/h3-9,20H,1-2H3,(H2,18,19,21,22)
InChIKeyMALJGTPHZUQJER-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-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750
1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113022247
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea (CID 113036774) is 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is MALJGTPHZUQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-9(2)19-15(22)21-14-6-4-11(8-18-14)20-13-7-10(16)3-5-12(13)17/h3-9,20H,1-2H3,(H2,18,19,21,22).
What are the key properties of 1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(2,5-dichloroanilino)-2-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-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113036774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).