(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide

C19H23FN2O — CID 99804367

IUPAC(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
SMILESC[C@H](c1ccccc1F)N(C)C(=O)CC[C@H](N)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-14(16-10-6-7-11-17(16)20)22(2)19(23)13-12-18(21)15-8-4-3-5-9-15/h3-11,14,18H,12-13,21H2,1-2H3/t14-,18+/m1/s1
InChIKeyRBYVKULDBPYXQI-KDOFPFPSSA-N
MW314.40 g/mol
LogP3.83
Rot. Bonds6

About (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide

(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide (PubChem CID 99804367) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
PubChem CID99804367
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
SMILESC[C@H](c1ccccc1F)N(C)C(=O)CC[C@H](N)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-14(16-10-6-7-11-17(16)20)22(2)19(23)13-12-18(21)15-8-4-3-5-9-15/h3-11,14,18H,12-13,21H2,1-2H3/t14-,18+/m1/s1
InChIKeyRBYVKULDBPYXQI-KDOFPFPSSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907700
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
4-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62986010

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide?
The IUPAC name of (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide (CID 99804367) is (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide?
The canonical SMILES for (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide is C[C@H](c1ccccc1F)N(C)C(=O)CC[C@H](N)c1ccccc1.
What is the InChIKey of (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide?
The InChIKey is RBYVKULDBPYXQI-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-14(16-10-6-7-11-17(16)20)22(2)19(23)13-12-18(21)15-8-4-3-5-9-15/h3-11,14,18H,12-13,21H2,1-2H3/t14-,18+/m1/s1.
What are the key properties of (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide?
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide has a molecular weight of 314.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 99804367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).