(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide

C24H24ClNO2 — CID 28575103

IUPAC(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24ClNO2/c1-2-22(28-23-16-10-9-15-21(23)25)24(27)26(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16,22H,2,17-18H2,1H3/t22-/m0/s1
InChIKeyUTDHDFOTCSVSLX-QFIPXVFZSA-N
MW393.91 g/mol
LogP5.73
Rot. Bonds8

About (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide

(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide (PubChem CID 28575103) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
PubChem CID28575103
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24ClNO2/c1-2-22(28-23-16-10-9-15-21(23)25)24(27)26(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16,22H,2,17-18H2,1H3/t22-/m0/s1
InChIKeyUTDHDFOTCSVSLX-QFIPXVFZSA-N
XLogP5.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
3-[2-(2-chlorophenoxy)butanoyl-methylamino]propanoic acid
CID 119362696
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133202268
N-[(4-chlorophenyl)methyl]-N-methyl-2-(2-methylphenoxy)butanamide
CID 46770642
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 92683061
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide?
The IUPAC name of (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide (CID 28575103) is (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide.
What is the SMILES notation for (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide?
The canonical SMILES for (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide?
The InChIKey is UTDHDFOTCSVSLX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-2-22(28-23-16-10-9-15-21(23)25)24(27)26(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16,22H,2,17-18H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide?
(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide has a molecular weight of 393.91 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide is sourced from PubChem (CID 28575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).