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

C15H14ClN3O2 — CID 77001317

IUPACN-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
SMILESNC(=NO)c1ccc(CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-12-2-1-3-13(9-12)18-14(20)8-10-4-6-11(7-5-10)15(17)19-21/h1-7,9,21H,8H2,(H2,17,19)(H,18,20)
InChIKeyBWBQKOINEREZOM-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.62
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide (PubChem CID 77001317) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
PubChem CID77001317
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
SMILESNC(=NO)c1ccc(CC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O2/c16-12-2-1-3-13(9-12)18-14(20)8-10-4-6-11(7-5-10)15(17)19-21/h1-7,9,21H,8H2,(H2,17,19)(H,18,20)
InChIKeyBWBQKOINEREZOM-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

2-(3-chlorophenyl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
CID 76945550
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-pyridin-3-ylacetamide
CID 77001775
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]benzoate
CID 62505130
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
CID 51228642
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide (CID 77001317) is N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide is NC(=NO)c1ccc(CC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The InChIKey is BWBQKOINEREZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-2-1-3-13(9-12)18-14(20)8-10-4-6-11(7-5-10)15(17)19-21/h1-7,9,21H,8H2,(H2,17,19)(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
N-(3-chlorophenyl)-2-[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 N-(3-chlorophenyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide is sourced from PubChem (CID 77001317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).