2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide

C15H14ClN3O2 — CID 76945550

IUPAC2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
SMILESNC(=NO)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-12-3-1-2-10(8-12)9-14(20)18-13-6-4-11(5-7-13)15(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20)
InChIKeyZKIIKJAPOFNWMF-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.62
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide

2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide (PubChem CID 76945550) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
PubChem CID76945550
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
SMILESNC(=NO)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-12-3-1-2-10(8-12)9-14(20)18-13-6-4-11(5-7-13)15(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20)
InChIKeyZKIIKJAPOFNWMF-UHFFFAOYSA-N
XLogP2.62
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 77001317
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
CID 61277576
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide
CID 77001775
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56923008

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide (CID 76945550) is 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide is NC(=NO)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The InChIKey is ZKIIKJAPOFNWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-3-1-2-10(8-12)9-14(20)18-13-6-4-11(5-7-13)15(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide is sourced from PubChem (CID 76945550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).