3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide

C20H18ClNO3 — CID 3306078

IUPAC3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H18ClNO3/c1-3-25-19-17(21)11-15(12-18(19)24-2)20(23)22-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyUJSYXHAHIZAZGO-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.15
Rot. Bonds5

About 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide

3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide (PubChem CID 3306078) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
PubChem CID3306078
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H18ClNO3/c1-3-25-19-17(21)11-15(12-18(19)24-2)20(23)22-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyUJSYXHAHIZAZGO-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide 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

N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
CID 26908340
3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
CID 38557928
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-chloro-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3889618
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide (CID 3306078) is 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide?
The InChIKey is UJSYXHAHIZAZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-3-25-19-17(21)11-15(12-18(19)24-2)20(23)22-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide?
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide has a molecular weight of 355.82 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 3306078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).