N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide

C21H20ClNO2 — CID 18267904

IUPACN-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C21H20ClNO2/c1-3-25-20-13-17-9-5-4-8-16(17)12-19(20)21(24)23(2)14-15-7-6-10-18(22)11-15/h4-13H,3,14H2,1-2H3
InChIKeyKGWPAMVPKPALMH-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.16
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide

N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide (PubChem CID 18267904) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
PubChem CID18267904
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC NameN-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C21H20ClNO2/c1-3-25-20-13-17-9-5-4-8-16(17)12-19(20)21(24)23(2)14-15-7-6-10-18(22)11-15/h4-13H,3,14H2,1-2H3
InChIKeyKGWPAMVPKPALMH-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112792298
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724
2-amino-3-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 115540200
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 112792407
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide (CID 18267904) is N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is KGWPAMVPKPALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-3-25-20-13-17-9-5-4-8-16(17)12-19(20)21(24)23(2)14-15-7-6-10-18(22)11-15/h4-13H,3,14H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide?
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 18267904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).