3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide

C19H20ClF2NO4 — CID 55344331

IUPAC3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H20ClF2NO4/c1-4-26-17-15(20)9-13(10-16(17)25-3)18(24)23(2)11-12-5-7-14(8-6-12)27-19(21)22/h5-10,19H,4,11H2,1-3H3
InChIKeyJPULLVNMMKSYTA-UHFFFAOYSA-N
MW399.82 g/mol
LogP4.62
Rot. Bonds8

About 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide

3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide (PubChem CID 55344331) has the molecular formula C19H20ClF2NO4 and a molecular weight of 399.82 g/mol. Its IUPAC name is 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
PubChem CID55344331
Molecular FormulaC19H20ClF2NO4
Molecular Weight399.82 g/mol
Exact Mass399.10
IUPAC Name3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C19H20ClF2NO4/c1-4-26-17-15(20)9-13(10-16(17)25-3)18(24)23(2)11-12-5-7-14(8-6-12)27-19(21)22/h5-10,19H,4,11H2,1-3H3
InChIKeyJPULLVNMMKSYTA-UHFFFAOYSA-N
XLogP4.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.82
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 34988962
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 43010545
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide (CID 55344331) is 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide is CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1OC.
What is the InChIKey of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
The InChIKey is JPULLVNMMKSYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO4/c1-4-26-17-15(20)9-13(10-16(17)25-3)18(24)23(2)11-12-5-7-14(8-6-12)27-19(21)22/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide?
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide has a molecular weight of 399.82 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 55344331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).