4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide

C14H18ClNO3 — CID 122559839

IUPAC4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H18ClNO3/c1-3-19-13-8-18-7-12(13)16-14(17)10-4-5-11(15)9(2)6-10/h4-6,12-13H,3,7-8H2,1-2H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyXQSRMMDVDUREMR-STQMWFEESA-N
MW283.75 g/mol
LogP2.18
Rot. Bonds4

About 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide

4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide (PubChem CID 122559839) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
PubChem CID122559839
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H18ClNO3/c1-3-19-13-8-18-7-12(13)16-14(17)10-4-5-11(15)9(2)6-10/h4-6,12-13H,3,7-8H2,1-2H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyXQSRMMDVDUREMR-STQMWFEESA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-prop-2-enoxybenzamide
CID 46982922
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 118778216
7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 70726856
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
CID 50949241
4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
CID 106444087
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide
CID 133121701
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-(3-methoxy-4-methylphenyl)urea
CID 118778137
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide (CID 122559839) is 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide is CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide?
The InChIKey is XQSRMMDVDUREMR-STQMWFEESA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-19-13-8-18-7-12(13)16-14(17)10-4-5-11(15)9(2)6-10/h4-6,12-13H,3,7-8H2,1-2H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide?
4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide has a molecular weight of 283.75 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide is sourced from PubChem (CID 122559839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).