4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide

C15H14Cl2N4O — CID 73355195

IUPAC4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2c(Cl)cc(/C(N)=N/[H])cc2Cl)c1
InChIInChI=1S/C15H14Cl2N4O/c16-11-5-10(15(20)21)6-12(17)13(11)22-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7H2,(H3,18,19)(H3,20,21)
InChIKeyJKKIERMWSKMLGH-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.14
Rot. Bonds5

About 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide

4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide (PubChem CID 73355195) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
PubChem CID73355195
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2c(Cl)cc(/C(N)=N/[H])cc2Cl)c1
InChIInChI=1S/C15H14Cl2N4O/c16-11-5-10(15(20)21)6-12(17)13(11)22-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7H2,(H3,18,19)(H3,20,21)
InChIKeyJKKIERMWSKMLGH-UHFFFAOYSA-N
XLogP3.14
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.14
H-Bond Donors ≤ 54
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

3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
3-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 29005520
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
3-[(2,6-dichlorophenoxy)methyl]benzenecarbothioamide
CID 60801950
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
CID 43351625
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide?
The IUPAC name of 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide (CID 73355195) is 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide.
What is the SMILES notation for 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide?
The canonical SMILES for 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2c(Cl)cc(/C(N)=N/[H])cc2Cl)c1.
What is the InChIKey of 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide?
The InChIKey is JKKIERMWSKMLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-11-5-10(15(20)21)6-12(17)13(11)22-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7H2,(H3,18,19)(H3,20,21).
What are the key properties of 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide?
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide has a molecular weight of 337.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide is sourced from PubChem (CID 73355195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).