3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide

C16H16ClNO2 — CID 13176467

IUPAC3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-18(2)16(19)12-7-5-8-14(10-12)20-11-13-6-3-4-9-15(13)17/h3-10H,11H2,1-2H3
InChIKeyALFWWHSXYARWRR-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.62
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide

3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide (PubChem CID 13176467) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
PubChem CID13176467
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-18(2)16(19)12-7-5-8-14(10-12)20-11-13-6-3-4-9-15(13)17/h3-10H,11H2,1-2H3
InChIKeyALFWWHSXYARWRR-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide (CID 13176467) is 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide?
The InChIKey is ALFWWHSXYARWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-18(2)16(19)12-7-5-8-14(10-12)20-11-13-6-3-4-9-15(13)17/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide?
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 13176467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).