2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide

C17H14ClN5O2 — CID 163503763

IUPAC2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide
SMILESO=C(NNO)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1
InChIInChI=1S/C17H14ClN5O2/c18-14-8-4-5-9-15(14)23(13-6-2-1-3-7-13)17-19-10-12(11-20-17)16(24)21-22-25/h1-11,22,25H,(H,21,24)
InChIKeyCWWLRWQINXWUML-UHFFFAOYSA-N
MW355.79 g/mol
LogP3.22
Rot. Bonds5

About 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide

2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide (PubChem CID 163503763) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide
PubChem CID163503763
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide
SMILESO=C(NNO)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1
InChIInChI=1S/C17H14ClN5O2/c18-14-8-4-5-9-15(14)23(13-6-2-1-3-7-13)17-19-10-12(11-20-17)16(24)21-22-25/h1-11,22,25H,(H,21,24)
InChIKeyCWWLRWQINXWUML-UHFFFAOYSA-N
XLogP3.22
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide?
The IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide (CID 163503763) is 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide?
The canonical SMILES for 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide is O=C(NNO)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.
What is the InChIKey of 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide?
The InChIKey is CWWLRWQINXWUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-14-8-4-5-9-15(14)23(13-6-2-1-3-7-13)17-19-10-12(11-20-17)16(24)21-22-25/h1-11,22,25H,(H,21,24).
What are the key properties of 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide?
2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide has a molecular weight of 355.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide is sourced from PubChem (CID 163503763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).