N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide

C18H14ClNO2 — CID 768464

IUPACN-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClNO2/c1-22-17-11-13-7-3-2-6-12(13)10-14(17)18(21)20-16-9-5-4-8-15(16)19/h2-11H,1H3,(H,20,21)
InChIKeyAMUWUBAYGMORIC-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.75
Rot. Bonds3

About N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide

N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 768464) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID768464
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClNO2/c1-22-17-11-13-7-3-2-6-12(13)10-14(17)18(21)20-16-9-5-4-8-15(16)19/h2-11H,1H3,(H,20,21)
InChIKeyAMUWUBAYGMORIC-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide (CID 768464) is N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is AMUWUBAYGMORIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-22-17-11-13-7-3-2-6-12(13)10-14(17)18(21)20-16-9-5-4-8-15(16)19/h2-11H,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide?
N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 768464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).