N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide

C21H19F2NO3 — CID 18225243

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F2NO3/c1-26-19-13-16-5-3-2-4-15(16)12-18(19)20(25)24-11-10-14-6-8-17(9-7-14)27-21(22)23/h2-9,12-13,21H,10-11H2,1H3,(H,24,25)
InChIKeyHKLKRIKTTYYJGC-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.42
Rot. Bonds7

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 18225243) has the molecular formula C21H19F2NO3 and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID18225243
Molecular FormulaC21H19F2NO3
Molecular Weight371.38 g/mol
Exact Mass371.13
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F2NO3/c1-26-19-13-16-5-3-2-4-15(16)12-18(19)20(25)24-11-10-14-6-8-17(9-7-14)27-21(22)23/h2-9,12-13,21H,10-11H2,1H3,(H,24,25)
InChIKeyHKLKRIKTTYYJGC-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(3-methoxynaphthalene-2-carbonyl)amino]ethyl]phenoxy]-2-methylpropanoic acid
CID 24752174
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide
CID 51201859
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27884454
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18116815
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-ethylindole-2-carboxamide
CID 55930331
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide (CID 18225243) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is HKLKRIKTTYYJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3/c1-26-19-13-16-5-3-2-4-15(16)12-18(19)20(25)24-11-10-14-6-8-17(9-7-14)27-21(22)23/h2-9,12-13,21H,10-11H2,1H3,(H,24,25).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 18225243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).