5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride

C16H17Cl2N3O2 — CID 23723148

IUPAC5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride
SMILESCl.N/C(=N\CCc1ccccc1)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClN3O2.ClH/c17-12-6-7-14(21)13(10-12)15(22)20-16(18)19-9-8-11-4-2-1-3-5-11;/h1-7,10,21H,8-9H2,(H3,18,19,20,22);1H
InChIKeyMPPIKUMFEKIQQN-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride

5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride (PubChem CID 23723148) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride
PubChem CID23723148
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride
SMILESCl.N/C(=N\CCc1ccccc1)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClN3O2.ClH/c17-12-6-7-14(21)13(10-12)15(22)20-16(18)19-9-8-11-4-2-1-3-5-11;/h1-7,10,21H,8-9H2,(H3,18,19,20,22);1H
InChIKeyMPPIKUMFEKIQQN-UHFFFAOYSA-N
XLogP2.75
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride?
The IUPAC name of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride (CID 23723148) is 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride is Cl.N/C(=N\CCc1ccccc1)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride?
The InChIKey is MPPIKUMFEKIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2.ClH/c17-12-6-7-14(21)13(10-12)15(22)20-16(18)19-9-8-11-4-2-1-3-5-11;/h1-7,10,21H,8-9H2,(H3,18,19,20,22);1H.
What are the key properties of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride?
5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride has a molecular weight of 354.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide;hydrochloride is sourced from PubChem (CID 23723148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).