N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide

C21H19F2NO2 — CID 127053278

IUPACN-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C21H19F2NO2/c1-13(2)24(12-14-7-10-18(22)19(23)11-14)21(26)17-9-8-15-5-3-4-6-16(15)20(17)25/h3-11,13,25H,12H2,1-2H3
InChIKeyGOIZMMUUTLJYPJ-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.87
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 127053278) has the molecular formula C21H19F2NO2 and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
PubChem CID127053278
Molecular FormulaC21H19F2NO2
Molecular Weight355.38 g/mol
Exact Mass355.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide
SMILESCC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C21H19F2NO2/c1-13(2)24(12-14-7-10-18(22)19(23)11-14)21(26)17-9-8-15-5-3-4-6-16(15)20(17)25/h3-11,13,25H,12H2,1-2H3
InChIKeyGOIZMMUUTLJYPJ-UHFFFAOYSA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 127031794
1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
CID 115280798
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
1-[3-[[(3,4-difluorophenyl)methyl-propan-2-ylamino]methyl]phenyl]-2-(4-isocyanophenyl)ethanone;hydrochloride
CID 159858051
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55558193
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898
3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
CID 60988949

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide (CID 127053278) is N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
The InChIKey is GOIZMMUUTLJYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2/c1-13(2)24(12-14-7-10-18(22)19(23)11-14)21(26)17-9-8-15-5-3-4-6-16(15)20(17)25/h3-11,13,25H,12H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-hydroxy-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 127053278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).