3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide

C19H22ClNO3 — CID 34889742

IUPAC3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-5-13-6-8-14(9-7-13)12-21(2)19(22)15-10-16(20)18(24-4)17(11-15)23-3/h6-11H,5,12H2,1-4H3
InChIKeyOXJWIRQNEZYFTI-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.19
Rot. Bonds6

About 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide

3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide (PubChem CID 34889742) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
PubChem CID34889742
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-5-13-6-8-14(9-7-13)12-21(2)19(22)15-10-16(20)18(24-4)17(11-15)23-3/h6-11H,5,12H2,1-4H3
InChIKeyOXJWIRQNEZYFTI-UHFFFAOYSA-N
XLogP4.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55344331
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 43010545
3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
CID 26972977
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide (CID 34889742) is 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide is CCc1ccc(CN(C)C(=O)c2cc(Cl)c(OC)c(OC)c2)cc1.
What is the InChIKey of 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is OXJWIRQNEZYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-5-13-6-8-14(9-7-13)12-21(2)19(22)15-10-16(20)18(24-4)17(11-15)23-3/h6-11H,5,12H2,1-4H3.
What are the key properties of 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 347.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 34889742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).