(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide

C12H14ClNO2 — CID 7722254

IUPAC(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C12H14ClNO2/c1-8(12(15)14-10-5-6-10)16-11-4-2-3-9(13)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyPZJKUTCCDWSEKP-QMMMGPOBSA-N
MW239.70 g/mol
LogP2.39
Rot. Bonds4

About (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide

(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide (PubChem CID 7722254) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
PubChem CID7722254
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C12H14ClNO2/c1-8(12(15)14-10-5-6-10)16-11-4-2-3-9(13)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyPZJKUTCCDWSEKP-QMMMGPOBSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-chlorophenoxy)propanamide
CID 62229825
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chloro-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 7751160
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55904910
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide (CID 7722254) is (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide?
The InChIKey is PZJKUTCCDWSEKP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8(12(15)14-10-5-6-10)16-11-4-2-3-9(13)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide?
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide has a molecular weight of 239.70 g/mol, XLogP of 2.39, 4 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-cyclopropylpropanamide is sourced from PubChem (CID 7722254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).