(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide

C22H21ClN2O3 — CID 67009405

IUPAC(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
SMILESN[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O3/c23-17-6-10-19(11-7-17)28-20-12-8-18(9-13-20)25-22(26)21(24)15-27-14-16-4-2-1-3-5-16/h1-13,21H,14-15,24H2,(H,25,26)/t21-/m0/s1
InChIKeyLPTBQOYWPPZZFI-NRFANRHFSA-N
MW396.87 g/mol
LogP4.61
Rot. Bonds8

About (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide

(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide (PubChem CID 67009405) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
PubChem CID67009405
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
SMILESN[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O3/c23-17-6-10-19(11-7-17)28-20-12-8-18(9-13-20)25-22(26)21(24)15-27-14-16-4-2-1-3-5-16/h1-13,21H,14-15,24H2,(H,25,26)/t21-/m0/s1
InChIKeyLPTBQOYWPPZZFI-NRFANRHFSA-N
XLogP4.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010016
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide
CID 67010505
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2S)-2-amino-3-[(4-chlorophenyl)methoxy]propanoic acid
CID 68714535
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
CID 67009207
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
2-[(2-chloroacetyl)amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010267
benzyl (2R)-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 6975658
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
CID 67009931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide (CID 67009405) is (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide is N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide?
The InChIKey is LPTBQOYWPPZZFI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-17-6-10-19(11-7-17)28-20-12-8-18(9-13-20)25-22(26)21(24)15-27-14-16-4-2-1-3-5-16/h1-13,21H,14-15,24H2,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide?
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide has a molecular weight of 396.87 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 67009405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).