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

C19H23ClFN3O2 — CID 119279019

IUPACN-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C(N)Cc2ccccc2)cc1F.Cl
InChIInChI=1S/C19H22FN3O2.ClH/c1-13-7-8-15(12-16(13)20)18(24)22-9-10-23-19(25)17(21)11-14-5-3-2-4-6-14;/h2-8,12,17H,9-11,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyRFTHMRBERMFYEN-UHFFFAOYSA-N
MW379.86 g/mol
LogP1.97
Rot. Bonds7

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

N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride (PubChem CID 119279019) has the molecular formula C19H23ClFN3O2 and a molecular weight of 379.86 g/mol. Its IUPAC name is N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
PubChem CID119279019
Molecular FormulaC19H23ClFN3O2
Molecular Weight379.86 g/mol
Exact Mass379.15
IUPAC NameN-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)C(N)Cc2ccccc2)cc1F.Cl
InChIInChI=1S/C19H22FN3O2.ClH/c1-13-7-8-15(12-16(13)20)18(24)22-9-10-23-19(25)17(21)11-14-5-3-2-4-6-14;/h2-8,12,17H,9-11,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyRFTHMRBERMFYEN-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 51.97
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-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119323433
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 120587900
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
3-fluoro-4-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]benzamide
CID 86933555
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride (CID 119279019) is N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)C(N)Cc2ccccc2)cc1F.Cl.
What is the InChIKey of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
The InChIKey is RFTHMRBERMFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2.ClH/c1-13-7-8-15(12-16(13)20)18(24)22-9-10-23-19(25)17(21)11-14-5-3-2-4-6-14;/h2-8,12,17H,9-11,21H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride?
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119279019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).