(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide

C23H23FN2O2 — CID 67009207

IUPAC(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
SMILESN[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O2/c24-18-9-13-20(14-10-18)28-21-15-11-19(12-16-21)26-23(27)22(25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,22H,4,7-8,25H2,(H,26,27)/t22-/m0/s1
InChIKeyZOFWZYAHOGRUGK-QFIPXVFZSA-N
MW378.45 g/mol
LogP4.91
Rot. Bonds8

About (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide

(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide (PubChem CID 67009207) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
PubChem CID67009207
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
SMILESN[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O2/c24-18-9-13-20(14-10-18)28-21-15-11-19(12-16-21)26-23(27)22(25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,22H,4,7-8,25H2,(H,26,27)/t22-/m0/s1
InChIKeyZOFWZYAHOGRUGK-QFIPXVFZSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(4S)-4-amino-5-[4-(4-fluorophenoxy)anilino]-5-oxopentyl]carbamate
CID 86659466
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009405
(2R)-2-amino-3-hydroxy-N-[3-[4-(2-phenylethyl)phenoxy]phenyl]propanamide
CID 142479950
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010016
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-amino-N-(4-phenylmethoxyphenyl)pentanamide;hydrochloride
CID 119261538
2-[(2-chloroacetyl)amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010267
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide (CID 67009207) is (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide is N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide?
The InChIKey is ZOFWZYAHOGRUGK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-18-9-13-20(14-10-18)28-21-15-11-19(12-16-21)26-23(27)22(25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-16,22H,4,7-8,25H2,(H,26,27)/t22-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide?
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide has a molecular weight of 378.45 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide is sourced from PubChem (CID 67009207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).