4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

C20H22ClNO3 — CID 40617546

IUPAC4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-24-18-8-4-16(5-9-18)20(10-12-25-13-11-20)14-22-19(23)15-2-6-17(21)7-3-15/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyCNVPWFMYVOFLDY-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.83
Rot. Bonds5

About 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide

4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (PubChem CID 40617546) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
PubChem CID40617546
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CCOCC2)cc1
InChIInChI=1S/C20H22ClNO3/c1-24-18-8-4-16(5-9-18)20(10-12-25-13-11-20)14-22-19(23)15-2-6-17(21)7-3-15/h2-9H,10-14H2,1H3,(H,22,23)
InChIKeyCNVPWFMYVOFLDY-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methylindole-5-carboxamide
CID 71753531
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56819138
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide (CID 40617546) is 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3ccc(Cl)cc3)CCOCC2)cc1.
What is the InChIKey of 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is CNVPWFMYVOFLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-24-18-8-4-16(5-9-18)20(10-12-25-13-11-20)14-22-19(23)15-2-6-17(21)7-3-15/h2-9H,10-14H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide?
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 359.85 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 40617546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).