2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide

C14H14ClFN4O2 — CID 74763648

IUPAC2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCC(C)(Nc1ncc(C(=O)NO)cn1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN4O2/c1-14(2,10-4-3-9(15)5-11(10)16)19-13-17-6-8(7-18-13)12(21)20-22/h3-7,22H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeySUCRDPKJSXZPNB-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide

2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 74763648) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID74763648
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC Name2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCC(C)(Nc1ncc(C(=O)NO)cn1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN4O2/c1-14(2,10-4-3-9(15)5-11(10)16)19-13-17-6-8(7-18-13)12(21)20-22/h3-7,22H,1-2H3,(H,20,21)(H,17,18,19)
InChIKeySUCRDPKJSXZPNB-UHFFFAOYSA-N
XLogP2.74
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.74
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-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide (CID 74763648) is 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide is CC(C)(Nc1ncc(C(=O)NO)cn1)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is SUCRDPKJSXZPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c1-14(2,10-4-3-9(15)5-11(10)16)19-13-17-6-8(7-18-13)12(21)20-22/h3-7,22H,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 324.74 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-fluorophenyl)propan-2-ylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 74763648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).