2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide

C17H24ClNO5 — CID 91789115

IUPAC2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCOC[C@H]2OC)c(Cl)cc1OC(C)C
InChIInChI=1S/C17H24ClNO5/c1-10(2)24-15-8-12(18)11(7-14(15)21-3)17(20)19-13-5-6-23-9-16(13)22-4/h7-8,10,13,16H,5-6,9H2,1-4H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyGZOXUTBFLYKZHN-CZUORRHYSA-N
MW357.83 g/mol
LogP2.67
Rot. Bonds6

About 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide

2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide (PubChem CID 91789115) has the molecular formula C17H24ClNO5 and a molecular weight of 357.83 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
PubChem CID91789115
Molecular FormulaC17H24ClNO5
Molecular Weight357.83 g/mol
Exact Mass357.13
IUPAC Name2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCOC[C@H]2OC)c(Cl)cc1OC(C)C
InChIInChI=1S/C17H24ClNO5/c1-10(2)24-15-8-12(18)11(7-14(15)21-3)17(20)19-13-5-6-23-9-16(13)22-4/h7-8,10,13,16H,5-6,9H2,1-4H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyGZOXUTBFLYKZHN-CZUORRHYSA-N
XLogP2.67
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 91761693
N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91792914
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707
1-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-(methylamino)ethanone
CID 117432206
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methoxyoxan-4-yl)-2-methylpropanamide
CID 156608721
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide (CID 91789115) is 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OC)c(Cl)cc1OC(C)C.
What is the InChIKey of 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide?
The InChIKey is GZOXUTBFLYKZHN-CZUORRHYSA-N. The full InChI is InChI=1S/C17H24ClNO5/c1-10(2)24-15-8-12(18)11(7-14(15)21-3)17(20)19-13-5-6-23-9-16(13)22-4/h7-8,10,13,16H,5-6,9H2,1-4H3,(H,19,20)/t13-,16-/m1/s1.
What are the key properties of 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide?
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide has a molecular weight of 357.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 91789115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).