(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide

C21H26ClNO2 — CID 100743652

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
SMILESCCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C21H26ClNO2/c1-4-15-10-11-16(5-2)17(12-15)14-23-21(24)20(6-3)25-19-9-7-8-18(22)13-19/h7-13,20H,4-6,14H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyWOKFXJAQRQYHNV-FQEVSTJZSA-N
MW359.90 g/mol
LogP4.94
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide

(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide (PubChem CID 100743652) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
PubChem CID100743652
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
SMILESCCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C21H26ClNO2/c1-4-15-10-11-16(5-2)17(12-15)14-23-21(24)20(6-3)25-19-9-7-8-18(22)13-19/h7-13,20H,4-6,14H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyWOKFXJAQRQYHNV-FQEVSTJZSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide (CID 100743652) is (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide is CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide?
The InChIKey is WOKFXJAQRQYHNV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-4-15-10-11-16(5-2)17(12-15)14-23-21(24)20(6-3)25-19-9-7-8-18(22)13-19/h7-13,20H,4-6,14H2,1-3H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide?
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide has a molecular weight of 359.90 g/mol, XLogP of 4.94, 8 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-[(2,5-diethylphenyl)methyl]butanamide is sourced from PubChem (CID 100743652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).