2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide

C11H8Cl2N4O2 — CID 57380288

IUPAC2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C11H8Cl2N4O2/c12-7-1-2-8(13)9(3-7)16-11-14-4-6(5-15-11)10(18)17-19/h1-5,19H,(H,17,18)(H,14,15,16)
InChIKeyUSNTYZNBKAAAHC-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.65
Rot. Bonds3

About 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide

2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57380288) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
PubChem CID57380288
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C11H8Cl2N4O2/c12-7-1-2-8(13)9(3-7)16-11-14-4-6(5-15-11)10(18)17-19/h1-5,19H,(H,17,18)(H,14,15,16)
InChIKeyUSNTYZNBKAAAHC-UHFFFAOYSA-N
XLogP2.65
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109255356
2-(3,4-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380055
2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267194
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
2-(3,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380287
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247242
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide (CID 57380288) is 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2cc(Cl)ccc2Cl)nc1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is USNTYZNBKAAAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-7-1-2-8(13)9(3-7)16-11-14-4-6(5-15-11)10(18)17-19/h1-5,19H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide?
2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 299.12 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57380288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).