N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide

C14H13F2NO2 — CID 104858075

IUPACN-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cccc2ccccc12
InChIInChI=1S/C14H13F2NO2/c15-14(16,9-18)8-17-13(19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,18H,8-9H2,(H,17,19)
InChIKeyXSPLLLVHJAUOEI-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.20
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide (PubChem CID 104858075) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
PubChem CID104858075
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cccc2ccccc12
InChIInChI=1S/C14H13F2NO2/c15-14(16,9-18)8-17-13(19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,18H,8-9H2,(H,17,19)
InChIKeyXSPLLLVHJAUOEI-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]naphthalene-1-carboxamide
CID 95367365
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
CID 106548223
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589
N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 104864887
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide (CID 104858075) is N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide is O=C(NCC(F)(F)CO)c1cccc2ccccc12.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide?
The InChIKey is XSPLLLVHJAUOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-14(16,9-18)8-17-13(19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,18H,8-9H2,(H,17,19).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 104858075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).