4-(2-phenoxybenzoyl)benzenecarboximidamide

C20H16N2O2 — CID 71388814

IUPAC4-(2-phenoxybenzoyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C20H16N2O2/c21-20(22)15-12-10-14(11-13-15)19(23)17-8-4-5-9-18(17)24-16-6-2-1-3-7-16/h1-13H,(H3,21,22)
InChIKeyCLOJNLJVGIHGQV-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.99
Rot. Bonds5

About 4-(2-phenoxybenzoyl)benzenecarboximidamide

4-(2-phenoxybenzoyl)benzenecarboximidamide (PubChem CID 71388814) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(2-phenoxybenzoyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-phenoxybenzoyl)benzenecarboximidamide
PubChem CID71388814
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-(2-phenoxybenzoyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C20H16N2O2/c21-20(22)15-12-10-14(11-13-15)19(23)17-8-4-5-9-18(17)24-16-6-2-1-3-7-16/h1-13H,(H3,21,22)
InChIKeyCLOJNLJVGIHGQV-UHFFFAOYSA-N
XLogP3.99
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[4-[4-[2-(4-aminophenoxy)benzoyl]phenoxy]phenyl]-[2-(4-aminophenoxy)phenyl]methanone
CID 70183152
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
(2-benzoyl-4-carbamimidoylphenyl) benzoate
CID 13106796
(2-benzoyl-4-carbamimidoylphenyl) benzoate;carbonic acid
CID 70057851
(2,3-diphenoxyphenyl)-(4-hydroxyphenyl)methanone
CID 22633824
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
benzoic acid;2-phenoxybenzoic acid
CID 160712085
benzenecarboximidamide;sulfane
CID 172701796
2-fluoro-3-phenoxybenzamide
CID 58104414
2-pentoxy-3-phenoxybenzenecarboximidamide
CID 154301739

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxybenzoyl)benzenecarboximidamide?
The IUPAC name of 4-(2-phenoxybenzoyl)benzenecarboximidamide (CID 71388814) is 4-(2-phenoxybenzoyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-phenoxybenzoyl)benzenecarboximidamide?
The canonical SMILES for 4-(2-phenoxybenzoyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenoxybenzoyl)benzenecarboximidamide?
The InChIKey is CLOJNLJVGIHGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c21-20(22)15-12-10-14(11-13-15)19(23)17-8-4-5-9-18(17)24-16-6-2-1-3-7-16/h1-13H,(H3,21,22).
What are the key properties of 4-(2-phenoxybenzoyl)benzenecarboximidamide?
4-(2-phenoxybenzoyl)benzenecarboximidamide has a molecular weight of 316.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxybenzoyl)benzenecarboximidamide is sourced from PubChem (CID 71388814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).