4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide

C17H18ClNO3 — CID 7780134

IUPAC4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO3/c1-19(2)17(20)12-8-9-15(16(10-12)21-3)22-11-13-6-4-5-7-14(13)18/h4-10H,11H2,1-3H3
InChIKeyJGZWPEFQONXECX-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide

4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 7780134) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
PubChem CID7780134
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C)ccc1OCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO3/c1-19(2)17(20)12-8-9-15(16(10-12)21-3)22-11-13-6-4-5-7-14(13)18/h4-10H,11H2,1-3H3
InChIKeyJGZWPEFQONXECX-UHFFFAOYSA-N
XLogP3.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
phenacyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2454304
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 112790343
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097
[2-(2-methylpropylamino)-2-oxoethyl] 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600417
3-cyanopropyl 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 24530110
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600506
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide (CID 7780134) is 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide is COc1cc(C(=O)N(C)C)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is JGZWPEFQONXECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(2)17(20)12-8-9-15(16(10-12)21-3)22-11-13-6-4-5-7-14(13)18/h4-10H,11H2,1-3H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 7780134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).