N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide

C20H18ClNO3 — CID 5302938

IUPACN-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCOc3ccccc3Cl)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-24-17-9-8-14-12-16(7-6-15(14)13-17)20(23)22-10-11-25-19-5-3-2-4-18(19)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyUFOZJAIZDVPNBV-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide (PubChem CID 5302938) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
PubChem CID5302938
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCOc3ccccc3Cl)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-24-17-9-8-14-12-16(7-6-15(14)13-17)20(23)22-10-11-25-19-5-3-2-4-18(19)21/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyUFOZJAIZDVPNBV-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
4-chloro-N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55343714
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
1-N,3-N-bis[2-(2-chlorophenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 3710842

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide (CID 5302938) is N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide is COc1ccc2cc(C(=O)NCCOc3ccccc3Cl)ccc2c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide?
The InChIKey is UFOZJAIZDVPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-24-17-9-8-14-12-16(7-6-15(14)13-17)20(23)22-10-11-25-19-5-3-2-4-18(19)21/h2-9,12-13H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 5302938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).