5-chloro-N,N-diethylnaphthalene-1-carboxamide

C15H16ClNO — CID 50850160

IUPAC5-chloro-N,N-diethylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C15H16ClNO/c1-3-17(4-2)15(18)13-9-5-8-12-11(13)7-6-10-14(12)16/h5-10H,3-4H2,1-2H3
InChIKeyHPTBGUNKHRSJLW-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.98
Rot. Bonds3

About 5-chloro-N,N-diethylnaphthalene-1-carboxamide

5-chloro-N,N-diethylnaphthalene-1-carboxamide (PubChem CID 50850160) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 5-chloro-N,N-diethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-diethylnaphthalene-1-carboxamide
PubChem CID50850160
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name5-chloro-N,N-diethylnaphthalene-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C15H16ClNO/c1-3-17(4-2)15(18)13-9-5-8-12-11(13)7-6-10-14(12)16/h5-10H,3-4H2,1-2H3
InChIKeyHPTBGUNKHRSJLW-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethylnaphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N,N-diethylnaphthalene-1-carboxamide (CID 50850160) is 5-chloro-N,N-diethylnaphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N,N-diethylnaphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N,N-diethylnaphthalene-1-carboxamide is CCN(CC)C(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N,N-diethylnaphthalene-1-carboxamide?
The InChIKey is HPTBGUNKHRSJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-3-17(4-2)15(18)13-9-5-8-12-11(13)7-6-10-14(12)16/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N,N-diethylnaphthalene-1-carboxamide?
5-chloro-N,N-diethylnaphthalene-1-carboxamide has a molecular weight of 261.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethylnaphthalene-1-carboxamide is sourced from PubChem (CID 50850160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).