N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide

C25H20ClNO3 — CID 2297606

IUPACN-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc2ccccc12
InChIInChI=1S/C25H20ClNO3/c1-29-24-21-8-4-2-6-17(21)10-15-22(24)25(28)27-19-11-13-20(14-12-19)30-16-18-7-3-5-9-23(18)26/h2-15H,16H2,1H3,(H,27,28)
InChIKeyDEZHYKHQXVNLIG-UHFFFAOYSA-N
MW417.89 g/mol
LogP6.33
Rot. Bonds6

About N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide

N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide (PubChem CID 2297606) has the molecular formula C25H20ClNO3 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide
PubChem CID2297606
Molecular FormulaC25H20ClNO3
Molecular Weight417.89 g/mol
Exact Mass417.11
IUPAC NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc2ccccc12
InChIInChI=1S/C25H20ClNO3/c1-29-24-21-8-4-2-6-17(21)10-15-22(24)25(28)27-19-11-13-20(14-12-19)30-16-18-7-3-5-9-23(18)26/h2-15H,16H2,1H3,(H,27,28)
InChIKeyDEZHYKHQXVNLIG-UHFFFAOYSA-N
XLogP6.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.89
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-methoxynaphthalene-2-carboxamide
CID 141440290
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119738642
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
1-methoxy-N-(3-methoxy-4-methylphenyl)naphthalene-2-carboxamide
CID 38112960
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide (CID 2297606) is N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc2ccccc12.
What is the InChIKey of N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide?
The InChIKey is DEZHYKHQXVNLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO3/c1-29-24-21-8-4-2-6-17(21)10-15-22(24)25(28)27-19-11-13-20(14-12-19)30-16-18-7-3-5-9-23(18)26/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide?
N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide has a molecular weight of 417.89 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methoxy]phenyl]-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 2297606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).