N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide

C17H15ClN4O4 — CID 134816349

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1N(O)O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN4O4/c18-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)20-16(23)11-21-10-9-19-17(21)22(24)25/h1-10,24-25H,11H2,(H,20,23)
InChIKeyIDNXNMOKJUVBSC-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.55
Rot. Bonds6

About N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide

N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide (PubChem CID 134816349) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide
PubChem CID134816349
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide
SMILESO=C(Cn1ccnc1N(O)O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN4O4/c18-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)20-16(23)11-21-10-9-19-17(21)22(24)25/h1-10,24-25H,11H2,(H,20,23)
InChIKeyIDNXNMOKJUVBSC-UHFFFAOYSA-N
XLogP3.55
TPSA99.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide (CID 134816349) is N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide is O=C(Cn1ccnc1N(O)O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide?
The InChIKey is IDNXNMOKJUVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c18-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)20-16(23)11-21-10-9-19-17(21)22(24)25/h1-10,24-25H,11H2,(H,20,23).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide?
N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide has a molecular weight of 374.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-[2-(dihydroxyamino)imidazol-1-yl]acetamide is sourced from PubChem (CID 134816349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).