N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H17F2NO2 — CID 7669273

IUPACN-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17F2NO2/c19-18(20)23-16-9-7-15(8-10-16)21-17(22)14-6-5-12-3-1-2-4-13(12)11-14/h5-11,18H,1-4H2,(H,21,22)
InChIKeyTVHPHESBGJAUCO-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.42
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 7669273) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID7669273
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17F2NO2/c19-18(20)23-16-9-7-15(8-10-16)21-17(22)14-6-5-12-3-1-2-4-13(12)11-14/h5-11,18H,1-4H2,(H,21,22)
InChIKeyTVHPHESBGJAUCO-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-bromo-N-[4-(difluoromethoxy)phenyl]benzamide
CID 61093967
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
3-amino-4-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 43328663
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 3928894

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 7669273) is N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is TVHPHESBGJAUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c19-18(20)23-16-9-7-15(8-10-16)21-17(22)14-6-5-12-3-1-2-4-13(12)11-14/h5-11,18H,1-4H2,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 7669273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).