N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide

C14H18ClNO3 — CID 94029080

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-18-13-5-4-11(15)7-10(13)9-16-14(17)8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXKKCLMILVMBGMB-LBPRGKRZSA-N
MW283.75 g/mol
LogP2.53
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 94029080) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID94029080
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)C[C@@H]1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-18-13-5-4-11(15)7-10(13)9-16-14(17)8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyXKKCLMILVMBGMB-LBPRGKRZSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94484955
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51988305
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 95620382
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 94029080) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide is COc1ccc(Cl)cc1CNC(=O)C[C@@H]1CCCO1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is XKKCLMILVMBGMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-18-13-5-4-11(15)7-10(13)9-16-14(17)8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 283.75 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94029080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).