(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide

C22H21ClN2O2 — CID 67010614

IUPAC(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O2/c23-17-7-11-19(12-8-17)27-20-13-9-18(10-14-20)25-22(26)21(24)15-6-16-4-2-1-3-5-16/h1-5,7-14,21H,6,15,24H2,(H,25,26)/t21-/m0/s1
InChIKeyLAYXOSPOFZQZNO-NRFANRHFSA-N
MW380.88 g/mol
LogP5.03
Rot. Bonds7

About (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide

(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide (PubChem CID 67010614) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
PubChem CID67010614
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O2/c23-17-7-11-19(12-8-17)27-20-13-9-18(10-14-20)25-22(26)21(24)15-6-16-4-2-1-3-5-16/h1-5,7-14,21H,6,15,24H2,(H,25,26)/t21-/m0/s1
InChIKeyLAYXOSPOFZQZNO-NRFANRHFSA-N
XLogP5.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009405
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
CID 67009207
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
2-[(4-amino-3-iminobutanoyl)amino]-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 91444596
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010016
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
2-amino-N',N'-bis(2-aminoethyl)-N-[1-[4-(3-chlorophenoxy)anilino]-1-oxo-4-phenylbutan-2-yl]butanediamide
CID 75215754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide (CID 67010614) is (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide?
The InChIKey is LAYXOSPOFZQZNO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-17-7-11-19(12-8-17)27-20-13-9-18(10-14-20)25-22(26)21(24)15-6-16-4-2-1-3-5-16/h1-5,7-14,21H,6,15,24H2,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide?
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide has a molecular weight of 380.88 g/mol, XLogP of 5.03, 7 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-chlorophenoxy)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 67010614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).