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

C17H18ClNO3 — CID 27678333

IUPAC4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-19(2)17(20)13-6-9-15(16(10-13)21-3)22-11-12-4-7-14(18)8-5-12/h4-10H,11H2,1-3H3
InChIKeySITVISZQKWFQTH-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds5

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

4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 27678333) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
PubChem CID27678333
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-19(2)17(20)13-6-9-15(16(10-13)21-3)22-11-12-4-7-14(18)8-5-12/h4-10H,11H2,1-3H3
InChIKeySITVISZQKWFQTH-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-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
CID 134014692
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]-ethylamino]propanoic acid
CID 119191439
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]butan-2-one
CID 82184682
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
4-[[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 168879327

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide (CID 27678333) is 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide is COc1cc(C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is SITVISZQKWFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(2)17(20)13-6-9-15(16(10-13)21-3)22-11-12-4-7-14(18)8-5-12/h4-10H,11H2,1-3H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide?
4-[(4-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-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 27678333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).