(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide

C17H18ClNO2 — CID 92671807

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H18ClNO2/c1-3-16(21-15-9-5-7-13(18)11-15)17(20)19-14-8-4-6-12(2)10-14/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyAORMDBDDQBXXAD-INIZCTEOSA-N
MW303.79 g/mol
LogP4.44
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide

(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide (PubChem CID 92671807) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
PubChem CID92671807
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H18ClNO2/c1-3-16(21-15-9-5-7-13(18)11-15)17(20)19-14-8-4-6-12(2)10-14/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyAORMDBDDQBXXAD-INIZCTEOSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
(2S)-N-(4-bromo-3-chlorophenyl)-2-(3-methylphenoxy)butanamide
CID 99950247
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
CID 133239980
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide (CID 92671807) is (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide?
The InChIKey is AORMDBDDQBXXAD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-16(21-15-9-5-7-13(18)11-15)17(20)19-14-8-4-6-12(2)10-14/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide has a molecular weight of 303.79 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 92671807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).