(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide

C14H20ClNO2 — CID 38013268

IUPAC(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
SMILESCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-4-10(3)16-14(17)12(5-2)18-13-9-7-6-8-11(13)15/h6-10,12H,4-5H2,1-3H3,(H,16,17)/t10-,12+/m0/s1
InChIKeyLVEXWDZGCVMQDT-CMPLNLGQSA-N
MW269.77 g/mol
LogP3.41
Rot. Bonds6

About (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide

(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide (PubChem CID 38013268) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
PubChem CID38013268
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
SMILESCC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl
InChIInChI=1S/C14H20ClNO2/c1-4-10(3)16-14(17)12(5-2)18-13-9-7-6-8-11(13)15/h6-10,12H,4-5H2,1-3H3,(H,16,17)/t10-,12+/m0/s1
InChIKeyLVEXWDZGCVMQDT-CMPLNLGQSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424
(2R)-2-(2-chlorophenoxy)butanoate
CID 7022542
(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573436
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide (CID 38013268) is (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide is CC[C@H](C)NC(=O)[C@@H](CC)Oc1ccccc1Cl.
What is the InChIKey of (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide?
The InChIKey is LVEXWDZGCVMQDT-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-10(3)16-14(17)12(5-2)18-13-9-7-6-8-11(13)15/h6-10,12H,4-5H2,1-3H3,(H,16,17)/t10-,12+/m0/s1.
What are the key properties of (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide?
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide has a molecular weight of 269.77 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide is sourced from PubChem (CID 38013268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).