(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride

C15H15ClN2O3 — CID 138961462

IUPAC(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H14N2O3.ClH/c1-19-12-6-4-11(5-7-12)15(18)20-13-8-2-10(3-9-13)14(16)17;/h2-9H,1H3,(H3,16,17);1H
InChIKeyQAXGQJQFSVHATC-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.62
Rot. Bonds4

About (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride

(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride (PubChem CID 138961462) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
PubChem CID138961462
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H14N2O3.ClH/c1-19-12-6-4-11(5-7-12)15(18)20-13-8-2-10(3-9-13)14(16)17;/h2-9H,1H3,(H3,16,17);1H
InChIKeyQAXGQJQFSVHATC-UHFFFAOYSA-N
XLogP2.62
TPSA85.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-carbamimidoylphenyl) benzoate;2,2,2-trifluoroacetic acid
CID 167762216
(6-carbamimidoylnaphthalen-2-yl) 4-aminobenzoate
CID 13176884
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
6-methoxynaphthalene-2-carboximidamide
CID 3274917
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
5-[4-(4-carbamimidoylphenoxy)carbonylphenyl]penta-2,4-dienoic acid
CID 152782055
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
(4-carbamimidoylphenyl) 2-fluorobenzoate
CID 10445218
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231

Frequently Asked Questions

What is the IUPAC name of (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride?
The IUPAC name of (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride (CID 138961462) is (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride.
What is the SMILES notation for (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride?
The canonical SMILES for (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride?
The InChIKey is QAXGQJQFSVHATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3.ClH/c1-19-12-6-4-11(5-7-12)15(18)20-13-8-2-10(3-9-13)14(16)17;/h2-9H,1H3,(H3,16,17);1H.
What are the key properties of (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride?
(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride has a molecular weight of 306.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride is sourced from PubChem (CID 138961462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).