N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide

C19H15ClFNO — CID 673823

IUPACN-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H15ClFNO/c20-14-7-5-13(6-8-14)11-12-22-19(23)17-9-10-18(21)16-4-2-1-3-15(16)17/h1-10H,11-12H2,(H,22,23)
InChIKeyHDBXIZJSZIGFPS-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.60
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide (PubChem CID 673823) has the molecular formula C19H15ClFNO and a molecular weight of 327.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
PubChem CID673823
Molecular FormulaC19H15ClFNO
Molecular Weight327.79 g/mol
Exact Mass327.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C19H15ClFNO/c20-14-7-5-13(6-8-14)11-12-22-19(23)17-9-10-18(21)16-4-2-1-3-15(16)17/h1-10H,11-12H2,(H,22,23)
InChIKeyHDBXIZJSZIGFPS-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-aminophenyl)ethyl]-2-fluorobenzamide
CID 39359576
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide (CID 673823) is N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide?
The InChIKey is HDBXIZJSZIGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO/c20-14-7-5-13(6-8-14)11-12-22-19(23)17-9-10-18(21)16-4-2-1-3-15(16)17/h1-10H,11-12H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide is sourced from PubChem (CID 673823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).