3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide

C19H15Cl2NO — CID 54499279

IUPAC3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C19H15Cl2NO/c1-2-22(19(23)14-10-11-16(20)17(21)12-14)18-9-5-7-13-6-3-4-8-15(13)18/h3-12H,2H2,1H3
InChIKeyYBHLFOSQOVXOGS-UHFFFAOYSA-N
MW344.24 g/mol
LogP5.81
Rot. Bonds3

About 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide

3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 54499279) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID54499279
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C19H15Cl2NO/c1-2-22(19(23)14-10-11-16(20)17(21)12-14)18-9-5-7-13-6-3-4-8-15(13)18/h3-12H,2H2,1H3
InChIKeyYBHLFOSQOVXOGS-UHFFFAOYSA-N
XLogP5.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]benzamide
CID 91500272
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-1-ylbenzamide
CID 55614680
N-ethyl-4-isocyanato-N-naphthalen-1-ylbenzamide
CID 169354457
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940764
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
4-benzamido-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940825
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 6234760
ethyl 3-[4-[ethyl(naphthalen-1-yl)carbamoyl]anilino]-3-oxopropanoate
CID 26168945
N-[3-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]-2-methylbenzamide
CID 68908310
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide (CID 54499279) is 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is YBHLFOSQOVXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO/c1-2-22(19(23)14-10-11-16(20)17(21)12-14)18-9-5-7-13-6-3-4-8-15(13)18/h3-12H,2H2,1H3.
What are the key properties of 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide?
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 344.24 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 54499279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).