N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride

C19H23ClFN3O2 — CID 120587900

IUPACN-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C(C)(N)c2ccccc2)cc1F.Cl
InChIInChI=1S/C19H22FN3O2.ClH/c1-13-8-9-14(12-16(13)20)17(24)22-10-11-23-18(25)19(2,21)15-6-4-3-5-7-15;/h3-9,12H,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyGIAVDSNOMUXJPE-UHFFFAOYSA-N
MW379.86 g/mol
LogP2.28
Rot. Bonds6

About N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride

N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride (PubChem CID 120587900) has the molecular formula C19H23ClFN3O2 and a molecular weight of 379.86 g/mol. Its IUPAC name is N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
PubChem CID120587900
Molecular FormulaC19H23ClFN3O2
Molecular Weight379.86 g/mol
Exact Mass379.15
IUPAC NameN-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C(C)(N)c2ccccc2)cc1F.Cl
InChIInChI=1S/C19H22FN3O2.ClH/c1-13-8-9-14(12-16(13)20)17(24)22-10-11-23-18(25)19(2,21)15-6-4-3-5-7-15;/h3-9,12H,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyGIAVDSNOMUXJPE-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide;hydrochloride
CID 120588629
2-amino-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120588144
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
3-[[(2-amino-2-phenylpropanoyl)amino]methyl]-N-propylbenzamide
CID 120588630
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
CID 120593007
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride (CID 120587900) is N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)C(C)(N)c2ccccc2)cc1F.Cl.
What is the InChIKey of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The InChIKey is GIAVDSNOMUXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2.ClH/c1-13-8-9-14(12-16(13)20)17(24)22-10-11-23-18(25)19(2,21)15-6-4-3-5-7-15;/h3-9,12H,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120587900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).