3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide

C23H22FN3O2 — CID 146208991

IUPAC3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide
SMILES[H]/N=C/c1cc(-c2cccc(C(=O)NC(CCO)c3ccccc3F)c2)ccc1N
InChIInChI=1S/C23H22FN3O2/c24-20-7-2-1-6-19(20)22(10-11-28)27-23(29)17-5-3-4-15(12-17)16-8-9-21(26)18(13-16)14-25/h1-9,12-14,22,25,28H,10-11,26H2,(H,27,29)/b25-14+
InChIKeyOJHGFFIUGXRPIO-AFUMVMLFSA-N
MW391.45 g/mol
LogP3.93
Rot. Bonds7

About 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide

3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 146208991) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide
PubChem CID146208991
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide
SMILES[H]/N=C/c1cc(-c2cccc(C(=O)NC(CCO)c3ccccc3F)c2)ccc1N
InChIInChI=1S/C23H22FN3O2/c24-20-7-2-1-6-19(20)22(10-11-28)27-23(29)17-5-3-4-15(12-17)16-8-9-21(26)18(13-16)14-25/h1-9,12-14,22,25,28H,10-11,26H2,(H,27,29)/b25-14+
InChIKeyOJHGFFIUGXRPIO-AFUMVMLFSA-N
XLogP3.93
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
3-[2-(4-fluorophenyl)-3-propanoyl-1-benzofuran-5-yl]-N-(3-hydroxy-1-phenylpropyl)benzamide
CID 58472927
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
5-[2-[(4-amino-3-methanimidoylbenzoyl)amino]acetyl]-N-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 130194334
4-amino-N-(4-amino-3-methanimidoylphenyl)-2-benzylsulfanylbutanamide
CID 142270818
N-[1-(2-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-(1H-isoindol-5-yl)benzamide
CID 163954256
4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
CID 129089974
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide (CID 146208991) is 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide is [H]/N=C/c1cc(-c2cccc(C(=O)NC(CCO)c3ccccc3F)c2)ccc1N.
What is the InChIKey of 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is OJHGFFIUGXRPIO-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-20-7-2-1-6-19(20)22(10-11-28)27-23(29)17-5-3-4-15(12-17)16-8-9-21(26)18(13-16)14-25/h1-9,12-14,22,25,28H,10-11,26H2,(H,27,29)/b25-14+.
What are the key properties of 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide?
3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methanimidoylphenyl)-N-[1-(2-fluorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 146208991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).