3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide

C18H19Cl2NO3 — CID 112790252

IUPAC3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-4-24-17-15(20)9-13(10-16(17)23-3)18(22)21(2)11-12-7-5-6-8-14(12)19/h5-10H,4,11H2,1-3H3
InChIKeyVGZPBLJLHKTXKE-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.67
Rot. Bonds6

About 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide

3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide (PubChem CID 112790252) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
PubChem CID112790252
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-4-24-17-15(20)9-13(10-16(17)23-3)18(22)21(2)11-12-7-5-6-8-14(12)19/h5-10H,4,11H2,1-3H3
InChIKeyVGZPBLJLHKTXKE-UHFFFAOYSA-N
XLogP4.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 43010545
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55344331
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 112790343
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide (CID 112790252) is 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide is CCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2Cl)cc1OC.
What is the InChIKey of 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The InChIKey is VGZPBLJLHKTXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-4-24-17-15(20)9-13(10-16(17)23-3)18(22)21(2)11-12-7-5-6-8-14(12)19/h5-10H,4,11H2,1-3H3.
What are the key properties of 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide has a molecular weight of 368.26 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 112790252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).