4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride

C19H23ClFN3O3 — CID 120588562

IUPAC4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1.Cl
InChIInChI=1S/C19H22FN3O3.ClH/c1-26-16(11-21)10-18(24)23-15-8-6-13(7-9-15)19(25)22-12-14-4-2-3-5-17(14)20;/h2-9,16H,10-12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyCZOAKPFOIRMWDT-UHFFFAOYSA-N
MW395.86 g/mol
LogP2.48
Rot. Bonds8

About 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride

4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride (PubChem CID 120588562) has the molecular formula C19H23ClFN3O3 and a molecular weight of 395.86 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
PubChem CID120588562
Molecular FormulaC19H23ClFN3O3
Molecular Weight395.86 g/mol
Exact Mass395.14
IUPAC Name4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1.Cl
InChIInChI=1S/C19H22FN3O3.ClH/c1-26-16(11-21)10-18(24)23-15-8-6-13(7-9-15)19(25)22-12-14-4-2-3-5-17(14)20;/h2-9,16H,10-12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyCZOAKPFOIRMWDT-UHFFFAOYSA-N
XLogP2.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-[(4-amino-3-methoxybutanoyl)amino]benzoyl]amino]propanoate
CID 120587768
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride (CID 120588562) is 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1.Cl.
What is the InChIKey of 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The InChIKey is CZOAKPFOIRMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3.ClH/c1-26-16(11-21)10-18(24)23-15-8-6-13(7-9-15)19(25)22-12-14-4-2-3-5-17(14)20;/h2-9,16H,10-12,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride has a molecular weight of 395.86 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxybutanoyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120588562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).