3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C14H18ClNO3 — CID 94087930

IUPAC3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NC[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO3/c15-12-5-1-2-6-13(12)19-9-7-14(17)16-10-11-4-3-8-18-11/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)/t11-/m0/s1
InChIKeyBONPJXVDVHXKGA-NSHDSACASA-N
MW283.75 g/mol
LogP2.40
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 94087930) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID94087930
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NC[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO3/c15-12-5-1-2-6-13(12)19-9-7-14(17)16-10-11-4-3-8-18-11/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)/t11-/m0/s1
InChIKeyBONPJXVDVHXKGA-NSHDSACASA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66004697
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60507252
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 19503006
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 94087930) is 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is O=C(CCOc1ccccc1Cl)NC[C@@H]1CCCO1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is BONPJXVDVHXKGA-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-5-1-2-6-13(12)19-9-7-14(17)16-10-11-4-3-8-18-11/h1-2,5-6,11H,3-4,7-10H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 283.75 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 94087930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).