5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C21H24ClNO4 — CID 55967862

IUPAC5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H24ClNO4/c1-25-19-8-4-3-6-15(19)13-23(14-17-7-5-11-27-17)21(24)18-12-16(22)9-10-20(18)26-2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
InChIKeyDOKYTNXHLNQFTH-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.18
Rot. Bonds7

About 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55967862) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55967862
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H24ClNO4/c1-25-19-8-4-3-6-15(19)13-23(14-17-7-5-11-27-17)21(24)18-12-16(22)9-10-20(18)26-2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
InChIKeyDOKYTNXHLNQFTH-UHFFFAOYSA-N
XLogP4.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
4-chloro-N-[4-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-4-oxobutyl]benzamide
CID 95351794
3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968778
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 55967862) is 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DOKYTNXHLNQFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-25-19-8-4-3-6-15(19)13-23(14-17-7-5-11-27-17)21(24)18-12-16(22)9-10-20(18)26-2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 389.88 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55967862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).