(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide

C13H18ClNO2 — CID 966270

IUPAC(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9(2)8-15-13(16)10(3)17-12-6-4-5-11(14)7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyKTPFNZLHSLCIGB-JTQLQIEISA-N
MW255.75 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 966270) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
PubChem CID966270
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9(2)8-15-13(16)10(3)17-12-6-4-5-11(14)7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyKTPFNZLHSLCIGB-JTQLQIEISA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-[[2-(3-chlorophenoxy)propanoylamino]methyl]butanoic acid
CID 65220537
3-[2-(3-chlorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107230
5-[2-(3-chlorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82012987
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide (CID 966270) is (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is KTPFNZLHSLCIGB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)8-15-13(16)10(3)17-12-6-4-5-11(14)7-12/h4-7,9-10H,8H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.88, 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 966270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).