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

C16H16ClN3O2 — CID 3447392

IUPAC5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
SMILESN/C(=N\CCc1ccccc1)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClN3O2/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)
InChIKeyBNGHTGAOZUJLCR-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.33
Rot. Bonds4

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

5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide (PubChem CID 3447392) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
PubChem CID3447392
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide
SMILESN/C(=N\CCc1ccccc1)NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClN3O2/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)
InChIKeyBNGHTGAOZUJLCR-UHFFFAOYSA-N
XLogP2.33
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.33
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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Related Compounds

5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide
CID 29778035
N-(5-chloro-2-hydroxybenzoyl)-N'-(2-phenylethyl)guanidine hydrochloride
CID 23723148
5-chloro-2-hydroxy-N-(2-phenylethyl)benzamide
CID 18108677
5-chloro-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 29276344
5-Chloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzamide
CID 29556315
5-chloro-N-[2-(4-fluorophenyl)ethyl]-2-hydroxybenzamide
CID 30051618
N-benzyl-5-chloro-2-hydroxy-benzamide
CID 245912
5-chloro-2-hydroxy-N-(3-phenylpropyl)benzamide
CID 35806665
5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 47292027
5-chloro-N-(2,2-diphenylethyl)-2-hydroxybenzamide
CID 90665763
5-chloro-N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide
CID 4793807
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide (CID 3447392) is 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide is N/C(=N\CCc1ccccc1)NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
The InChIKey is BNGHTGAOZUJLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/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).
What are the key properties of 5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide?
5-chloro-2-hydroxy-N-[N'-(2-phenylethyl)carbamimidoyl]benzamide has a molecular weight of 317.78 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 3447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).