N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide

C14H18ClNO3 — CID 95346415

IUPACN-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
SMILESCc1ccc(NC(=O)COC[C@@H]2CCOC2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-2-3-12(6-13(10)15)16-14(17)9-19-8-11-4-5-18-7-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyHDHPOLGLYPRJLJ-LLVKDONJSA-N
MW283.75 g/mol
LogP2.64
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide (PubChem CID 95346415) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
PubChem CID95346415
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
SMILESCc1ccc(NC(=O)COC[C@@H]2CCOC2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-10-2-3-12(6-13(10)15)16-14(17)9-19-8-11-4-5-18-7-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyHDHPOLGLYPRJLJ-LLVKDONJSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethoxy)-N-(3,4,5-trimethylphenyl)acetamide
CID 166373779
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
2-(oxolan-3-ylmethoxy)acetohydrazide
CID 63570032
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
1-(3-chloro-4-methoxyphenyl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818606
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4575448
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-2-[(3S)-oxolan-3-yl]acetic acid
CID 100730213

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide (CID 95346415) is N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide is Cc1ccc(NC(=O)COC[C@@H]2CCOC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
The InChIKey is HDHPOLGLYPRJLJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-2-3-12(6-13(10)15)16-14(17)9-19-8-11-4-5-18-7-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide has a molecular weight of 283.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide is sourced from PubChem (CID 95346415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).