2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide

C19H16ClNO — CID 587064

IUPAC2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
SMILESCCN(C(=O)c1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO/c1-2-21(19(22)17-9-5-6-10-18(17)20)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3
InChIKeyAZNZRFZCRNPSSU-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.16
Rot. Bonds3

About 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide

2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide (PubChem CID 587064) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
PubChem CID587064
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
SMILESCCN(C(=O)c1ccccc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO/c1-2-21(19(22)17-9-5-6-10-18(17)20)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3
InChIKeyAZNZRFZCRNPSSU-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide?
The IUPAC name of 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide (CID 587064) is 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide is CCN(C(=O)c1ccccc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide?
The InChIKey is AZNZRFZCRNPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-2-21(19(22)17-9-5-6-10-18(17)20)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide?
2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide has a molecular weight of 309.80 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 587064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).