2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

C12H10ClFN4O2 — CID 57381197

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C12H10ClFN4O2/c13-9-3-7(1-2-10(9)14)4-15-12-16-5-8(6-17-12)11(19)18-20/h1-3,5-6,20H,4H2,(H,18,19)(H,15,16,17)
InChIKeyZWQWQFBTWXDNEN-UHFFFAOYSA-N
MW296.69 g/mol
LogP2.00
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57381197) has the molecular formula C12H10ClFN4O2 and a molecular weight of 296.69 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57381197
Molecular FormulaC12H10ClFN4O2
Molecular Weight296.69 g/mol
Exact Mass296.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C12H10ClFN4O2/c13-9-3-7(1-2-10(9)14)4-15-12-16-5-8(6-17-12)11(19)18-20/h1-3,5-6,20H,4H2,(H,18,19)(H,15,16,17)
InChIKeyZWQWQFBTWXDNEN-UHFFFAOYSA-N
XLogP2.00
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 57381197) is 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NCc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is ZWQWQFBTWXDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4O2/c13-9-3-7(1-2-10(9)14)4-15-12-16-5-8(6-17-12)11(19)18-20/h1-3,5-6,20H,4H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 296.69 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57381197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).